SCHEMBL10102350

SCHEMBL10102350

CCC#Cc1ccc(OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.55
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ MCHR1 Q99705 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HAO1 Q9UJM8 1/20 0.43
▸ NR1I2 O75469 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ ACACB O00763 2/20 0.41
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL9332942 0.98 APP (0.59) APPCA1CA2CA7CA9
SCHEMBL28842576 0.94 MCHR1 (0.55) APPCA1CA2CA7CA9
SCHEMBL14085288 0.83 APP (0.52) APPCA1CA2CA7CA9
SCHEMBL8213728 0.83 CYP1A2 (0.47) APPCA1CA2CA7CA9
SCHEMBL20681007 0.82 HAO1 (0.40) APPMCHR1HAO1ACACB
SCHEMBL9333484 0.82 APP (0.55) APPCA1CA2CA7CA9
SCHEMBL10300057 0.81 APP (0.77) APPCA1CA2CA7CA9
SCHEMBL674764 0.81 APP (0.77) APPCA1CA2CA7CA9
SCHEMBL9834499 0.81 APP (0.53) APPCA1CA2CA7CA9
SCHEMBL7573542 0.81 APP (0.59) APPCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11525123-B2 Diverse carbene transferase enzyme catalysts derived from a P450 enzyme CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-12-13 — — US disclosed
US-20210292718-A1 DIVERSE CARBENE TRANSFERASE ENZYME CATALYSTS DERIVED FROM A P450 ENZYME CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-23 — — US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 — — US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 — — US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 — — US disclosed
CN-102491969-B Heteroaromatic quinoline compounds and the purposes as PDE10 inhibitor thereof PFIZER PRODUCTS INC. (US) 2015-08-19 — — CN disclosed
US-9045482-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-02 — — US disclosed
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-01-01 — — US disclosed
US-8859561-B2 Pyrido[4,3-b]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-14 — — US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
CN-101098866-A Heteroaromatic quinoline compounds and their use as pde10 inhibitors PFIZER (US) 2008-01-02 — — CN disclosed
CN-101087786-A Heterocyclic carbamate derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-12-12 — — CN disclosed
CN-101087787-A Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-12-12 — — CN disclosed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 — — CN disclosed
CN-1798721-A Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2006-07-05 — — CN disclosed
CN-1147486-C 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles - 2004-04-28 — — CN disclosed
CN-1418193-A heterocyclic side chain containing metalloprotease inbibitors PROCTER & GAMBLE (US) 2003-05-14 — — CN disclosed
CN-1379762-A Beta substituted metalloprotease inhibitors PROCTER & GAMBLE (US) 2002-11-13 — — CN disclosed
CN-1349498-A Alkenyl-and alkynyl-containing metalloprotease inhibitors PROCTER & GAMBLE (US) 2002-05-15 — — CN disclosed
CN-1135515-A Liquid crystal alkynyl tolane compound, liquid crystal composition and liquid crystal display part CHISSO CORP (JP) 1996-11-13 — — CN 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 (3 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-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 APP 360/4885CA1 1688/4885CA2 3584/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C APP 365/4885CA1 1735/4885CA2 3625/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C APP 365/4885CA1 1735/4885CA2 3625/4885

“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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