SCHEMBL3160337

SCHEMBL3160337

COc1cccc2ccc(C)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.59
CYP1A2 P05177 2/20 0.59
ACHE P22303 8/20 0.53
BCHE P06276 3/20 0.53
NQO1 P15559 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL13241089 0.85 ACHE (0.50) CYP2A6CYP1A2ACHEBCHENQO1
SCHEMBL8157352 0.84 CYP1A2 (0.59) CYP2A6CYP1A2ACHEBCHENQO1
SCHEMBL13241084 0.84 ACHE (0.50) CYP2A6CYP1A2ACHEBCHENQO1
SCHEMBL8393507 0.81 NQO1 (0.67) CYP2A6ACHEBCHENQO1ALDH1A1
SCHEMBL29919905 0.81 NQO1 (0.67) CYP2A6ACHEBCHENQO1ALDH1A1
SCHEMBL18053268 0.80 CYP2A6 (0.50) CYP2A6CYP1A2ACHEBCHEALDH1A1
SCHEMBL1402595 0.80 NQO1 (0.50) CYP2A6ACHEBCHENQO1ALDH1A1
SCHEMBL443625 0.80 CYP1A2 (0.57) CYP2A6CYP1A2ACHEBCHENQO1
SCHEMBL12804576 0.80 ACHE (0.56) CYP2A6CYP1A2ACHEBCHENQO1
SCHEMBL30088510 0.80 CYP1A2 (0.57) CYP2A6CYP1A2ACHEBCHENQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
US-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-23 US disclosed
US-20190119277-A1 VINBLASTINE 20' AMIDES: SYNTHETIC ANALOGS THAT MAINTAIN OR IMPROVE POTENCY AND SIMULTANEOUSLY OVERCOME Pgp-DERIVED EFFLUX AND RESISTANCE THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
EP-1963399-B1 POLYCYCLIC DIHYDROXY COMPOUNDS AND METHODS FOR PREPARATION SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-07-27 EP disclosed
EP-1940771-B1 POLYMERS, POLYMER COMPOSITIONS AND METHOD OF PREPARATION SABIC INNOVATIVE PLASTICS IP (NL) 2012-06-13 EP disclosed
EP-1846351-B1 METHODS FOR PREPARING 1,1,1-TRIS(4-HYDROXYPHENYL)ALKANES SABIC INNOVATIVE PLASTICS IP (NL) 2010-03-03 EP disclosed
US-7425603-B2 Polymers, polymer compositions, and method of preparation GENERAL ELECTRIC COMPANY (US) 2008-09-16 US disclosed
EP-1963399-A2 CHROMANE SUBSTITUTED 2-ALKYL IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS ACID PUMP ANTAGONIST General Electric Company (US) 2008-09-03 EP disclosed
EP-1940771-A2 POLYMERS, POLYMER COMPOSITIONS AND METHOD OF PREPARATION General Electric Company (US) 2008-07-09 EP disclosed
WO-2007064569-A2 CHROMANE SUBSTITUTED 2 -ALKYL IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS ACID PUMP ANTAGONISTS GENERAL ELECTRIC COMPANY (US) 2007-06-07 WO disclosed
US-20070123713-A1 Polycyclic dihydroxy compound and methods for preparation CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-31 US disclosed
US-20070123682-A1 Polycarbonates, polyesters, polycarbonateesters, polyurethanes and epoxy resins prepared from monomers including N-4-[1,1'-di(p-hydroxyphenyl)ethyl]phenyl phthalimide or derivatives; articles with improved chemical resistance and high glass transition temperatures and refractive indices SABIC GLOBAL TECHNOLOGIES IP B.V. (NL) 2007-05-31 US disclosed
WO-2007053357-A2 POLYMERS, POLYMER COMPOSITIONS AND METHOD OF PREPARATION GENERAL ELECTRIC COMPANY (US) 2007-05-10 WO disclosed
US-20070100156-A1 POLYCYCLIC DIHYDROXY COMPOUNDS AND METHODS FOR PREPARATION GENERAL ELECTRIC COMPANY (US) 2007-05-03 US disclosed
US-7208620-B1 Polycyclic dihydroxy compounds and methods for preparation GENERAL ELECTRIC COMPANY (US) 2007-04-24 US disclosed
WO-2006083745-A1 METHODS FOR PREPARING 1,1,1-TRIS(4-HYDROXYPHENYL)ALKANES GENERAL ELECTRIC COMPANY (US) 2006-08-10 WO disclosed
US-20060173222-A1 Reacting phenol and 2,4, pentanedione in the presence of an ion exchange resin catalyst and an optional mercaptan co-catalyst; polymerization of polycarbonates SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2006-08-03 US disclosed
WO-2006065570-A2 PROCESS FOR PREPARING BISPHENOLS GENERAL ELECTRIC COMPANY (US) 2006-06-22 WO disclosed
US-20060135825-A1 Process for preparing bisphenols SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2006-06-22 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 (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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 CYP2A6 4059/4885CYP1A2 3639/4885ACHE 1869/4885
US-20070100156-A1 POLYCYCLIC DIHYDROXY COMPOUNDS AND METHODS FOR PREPARATION PAH, CYP4A11, CYP4F11 CYP2A6 342/4885CYP1A2 113/4885ACHE 1392/4885
US-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance ABCG2, ABCC1, GLS CYP2A6 627/4885CYP1A2 852/4885ACHE 3403/4885
US-20060135825-A1 Process for preparing bisphenols SSRP1, PCBP1, HPD CYP2A6 23/4885CYP1A2 54/4885ACHE 1406/4885
US-20070123713-A1 Polycyclic dihydroxy compound and methods for preparation PAH, DDT, CYP24A1 CYP2A6 235/4885CYP1A2 169/4885ACHE 4060/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 CYP2A6 4059/4885CYP1A2 3639/4885ACHE 1869/4885
US-20060173222-A1 Reacting phenol and 2,4, pentanedione in the presence of an ion exchange resin catalyst and an optional mercaptan co-catalyst; polymerization of polycarbonates HPD, PAH, GRHPR CYP2A6 879/4885CYP1A2 216/4885ACHE 4392/4885
US-20190119277-A1 VINBLASTINE 20' AMIDES: SYNTHETIC ANALOGS THAT MAINTAIN OR IMPROVE POTENCY AND SIMULTANEOUSLY OVERCOME Pgp-DERIVED EFFLUX AND RESISTANCE ABCG2, ABCC1, GLS CYP2A6 614/4885CYP1A2 847/4885ACHE 3482/4885

“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.