SCHEMBL10321423

SCHEMBL10321423

C=C(C)CCOc1c2occc2cc2ccc(=O)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.67
▸ CYP3A4 P08684 4/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ BACE1 P56817 3/20 0.65
▸ GAA P10253 2/20 0.65
▸ ABCB1 P08183 2/20 0.65
▸ CYP1B1 Q16678 2/20 0.65
▸ KCNA3 P22001 3/20 0.62
▸ KCNA5 P22460 2/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ HPGD P15428 3/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2A6 P11509 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ PDE4A P27815 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9184365 0.83 MAOA (0.76) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL10491029 0.82 MAOA (0.78) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL18788617 0.82 MAOA (0.78) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL31546585 0.81 MAOA (0.77) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL14677742 0.81 MAOA (0.73) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL13985912 0.81 MAOA (0.68) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL31232768 0.81 CA9 (0.69) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL2468855 0.81 CA9 (0.69) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL17373028 0.81 MAOA (1.00) MAOACYP3A4ALDH1A1BACE1GAA
SCHEMBL8806449 0.80 CYP3A4 (0.71) MAOACYP3A4ALDH1A1BACE1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106268-A9 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE THE WILLIAM M. YARBROUGH FOUNDATION 2022-04-07 — — US disclosed
US-11279674-B2 Isothiocyanate functional surfactant and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2022-03-22 — — US disclosed
US-20210355081-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE SILVER MICHAEL E (US) 2021-11-18 — — US disclosed
US-10647668-B2 Isothiocyanate functional surfactant and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2020-05-12 — — US disclosed
US-20190284133-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE THE WILLIAM M. YARBROUGH FOUNDATION 2019-09-19 — — US disclosed
US-10308600-B2 Isothiocyanate functional surfactant and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2019-06-04 — — US disclosed
US-20180290972-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE THE WILLIAM M YARBROUGH FOUNDATION 2018-10-11 — — US disclosed
US-9951004-B2 Isothiocyanate functional surfactant and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2018-04-24 — — US disclosed
US-9951005-B2 Isothiocyanate functional surfactant formulation and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2018-04-24 — — US disclosed
US-9951003-B2 Isothiocyanate functional compound and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2018-04-24 — — US disclosed
US-9771322-B2 Isothiocyanate functional surfactant and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2017-09-26 — — US disclosed
US-20170037000-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE THE WILLIAM M YARBROUGH FOUNDATION 2017-02-09 — — US disclosed
US-20170037001-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT FORMULATION AND ASSOCIATED METHOD OF USE THE WILLIAM M YARBROUGH FOUNDATION 2017-02-09 — — US disclosed
US-20160030379-A1 Method for Treating Phytophotodermatitis THE WILLIAM M YARBROUGH FOUNDATION 2016-02-04 — — US disclosed
US-20160030381-A1 Method for Treating Phytophotodermatitis THE WILLIAM M YARBROUGH FOUNDATION 2016-02-04 — — US disclosed
US-20160030380-A1 Method for Treating Phytophotodermatitis THE WILLIAM M YARBROUGH FOUNDATION 2016-02-04 — — US disclosed
US-20150126600-A1 Method for Treating Phytophotodermatitis THE WILLIAM M YARBROUGH FOUNDATION 2015-05-07 — — US disclosed
US-8933119-B2 Method for treating phytophotodermatitis THE WILLIAM M. YARBROUGH FOUNDATION (US) 2015-01-13 — — US disclosed
WO-2013003601-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS THE WILLIAM M. YARBROUGH FOUNDATION (US) 2013-01-03 — — WO disclosed
US-20120184621-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS WILLIAM M. YARBROUGH FOUNDATION, THE 2012-07-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210355081-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE STOM, TST, SGMS1 MAOA 4709/4885CYP3A4 3874/4885ALDH1A1 3753/4885
US-20120184621-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS STOM, TST, ABCB4 MAOA 4467/4885CYP3A4 3387/4885ALDH1A1 3440/4885
US-20180290972-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE STOM, TST, SGMS1 MAOA 4709/4885CYP3A4 3874/4885ALDH1A1 3753/4885
US-20170037000-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE TST, CFTR, SGMS1 MAOA 4552/4885CYP3A4 3112/4885ALDH1A1 3220/4885
US-10308600-B2 Isothiocyanate functional surfactant and associated method of use STOM, TST, SGMS1 MAOA 4709/4885CYP3A4 3874/4885ALDH1A1 3753/4885
US-11279674-B2 Isothiocyanate functional surfactant and associated method of use STOM, TST, SGMS1 MAOA 4709/4885CYP3A4 3874/4885ALDH1A1 3753/4885
US-20160030379-A1 Method for Treating Phytophotodermatitis STOM, TST, ABCB4 MAOA 4467/4885CYP3A4 3387/4885ALDH1A1 3440/4885
US-20170037001-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT FORMULATION AND ASSOCIATED METHOD OF USE SGMS1, TST, SGMS2 MAOA 4405/4885CYP3A4 3419/4885ALDH1A1 3035/4885
US-20160030380-A1 Method for Treating Phytophotodermatitis STOM, TST, ABCB4 MAOA 4467/4885CYP3A4 3387/4885ALDH1A1 3440/4885
US-20150126600-A1 Method for Treating Phytophotodermatitis STOM, TST, ABCB4 MAOA 4467/4885CYP3A4 3387/4885ALDH1A1 3440/4885
US-10647668-B2 Isothiocyanate functional surfactant and associated method of use STOM, TST, SGMS1 MAOA 4709/4885CYP3A4 3874/4885ALDH1A1 3753/4885
US-20160030381-A1 Method for Treating Phytophotodermatitis STOM, TST, ABCB4 MAOA 4467/4885CYP3A4 3387/4885ALDH1A1 3440/4885
US-20220106268-A9 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE STOM, TST, SGMS1 MAOA 4709/4885CYP3A4 3874/4885ALDH1A1 3753/4885
US-20190284133-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE STOM, TST, SGMS1 MAOA 4709/4885CYP3A4 3874/4885ALDH1A1 3753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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