SCHEMBL10319923

SCHEMBL10319923

O=c1ccc2c(O)c3ccoc3c(O)c2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ MAPT P10636 5/20 0.57
▸ HPGD P15428 4/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ CYP1A1 P04798 2/20 0.50
▸ CYP1B1 Q16678 2/20 0.50
▸ ALOX15 P16050 3/20 0.49
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ KCNA2 P16389 1/20 0.46
▸ MET P08581 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ MCL1 Q07820 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL7895128 0.88 CYP3A4 (0.49) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL6361059 0.84 CYP3A4 (0.75) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL4429395 0.82 ALDH1A1 (0.39) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL31542614 0.80 CYP3A4 (0.80) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL434686 0.80 CYP3A4 (0.80) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL6272567 0.78 MAOA (0.54) CYP3A4ALDH1A1MAPTHPGDKDM4E
SCHEMBL30945593 0.75 PDE4D (0.55) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL4426240 0.75 KCNA3 (0.40) CYP3A4ALDH1A1MAPTHPGDCYP2A6
Bergaptol SCHEMBL31097369 0.73 ALDH1A1 (1.00) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL30226185 0.73 CYP3A4 (0.65) CYP3A4ALDH1A1MAPTHPGDCYP2A6

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 63 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-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-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-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-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
WO-2013003601-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS THE WILLIAM M. YARBROUGH FOUNDATION (US) 2013-01-03 — — WO disclosed
WO-2013003601-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS THE WILLIAM M. YARBROUGH FOUNDATION (US) 2013-01-03 — — WO disclosed
US-8318973-B2 Functionalized sinapic acid and methyl sinapate BEZWADA BIOMEDICAL, LLC (US) 2012-11-27 — — US disclosed
US-8318973-B2 Functionalized sinapic acid and methyl sinapate BEZWADA BIOMEDICAL, LLC (US) 2012-11-27 — — US disclosed
US-20120184621-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS WILLIAM M. YARBROUGH FOUNDATION, THE 2012-07-19 — — US disclosed
US-20120184621-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS WILLIAM M. YARBROUGH FOUNDATION, THE 2012-07-19 — — US disclosed
US-20120184621-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS WILLIAM M. YARBROUGH FOUNDATION, THE 2012-07-19 — — US disclosed
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2009-07-02 — — US disclosed
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2009-07-02 — — US disclosed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 — — WO 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 (8 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 CYP3A4 3874/4885ALDH1A1 3753/4885MAPT 2844/4885
US-20120184621-A1 METHOD FOR TREATING PHYTOPHOTODERMATITIS STOM, TST, ABCB4 CYP3A4 3387/4885ALDH1A1 3440/4885MAPT 1700/4885
US-10308600-B2 Isothiocyanate functional surfactant and associated method of use STOM, TST, SGMS1 CYP3A4 3874/4885ALDH1A1 3753/4885MAPT 2844/4885
US-11279674-B2 Isothiocyanate functional surfactant and associated method of use STOM, TST, SGMS1 CYP3A4 3874/4885ALDH1A1 3753/4885MAPT 2844/4885
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM COMT, AOX1, UGT1A6 CYP3A4 345/4885ALDH1A1 384/4885MAPT 2351/4885
US-10647668-B2 Isothiocyanate functional surfactant and associated method of use STOM, TST, SGMS1 CYP3A4 3874/4885ALDH1A1 3753/4885MAPT 2844/4885
US-20220106268-A9 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE STOM, TST, SGMS1 CYP3A4 3874/4885ALDH1A1 3753/4885MAPT 2844/4885
US-20190284133-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANT AND ASSOCIATED METHOD OF USE STOM, TST, SGMS1 CYP3A4 3874/4885ALDH1A1 3753/4885MAPT 2844/4885

“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.

Send feedback