SCHEMBL2474418

SCHEMBL2474418

COc1ccccc1-c1ccccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.57
TLR2 O60603 1/20 0.56
TLR1 Q15399 1/20 0.56
TLR6 Q9Y2C9 1/20 0.56
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRC P12931 1/20 0.47
APP P05067 1/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL3679777 0.85 ERN1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6536022 0.85 ERN1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL29746159 0.84 ERN1 (0.53) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL12961731 0.84 ERN1 (0.72) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL15618978 0.84 ERN1 (0.53) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6545157 0.83 ALDH1A1 (0.55) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6742557 0.83 ERN1 (0.56) ERN1TLR2TLR1TLR6ALDH1A1
2-Methoxybenzaldehyde SCHEMBL29358929 0.83 ALDH1A1 (0.66) ERN1TLR2TLR1TLR6ALDH1A1
2-Methoxybenzaldehyde SCHEMBL8469378 0.83 ALDH1A1 (0.66) ERN1TLR2TLR1TLR6ALDH1A1
2-Methoxybenzaldehyde SCHEMBL66490 0.83 ALDH1A1 (0.66) ERN1TLR2TLR1TLR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102641260-A Preparation and application for compound for treating cerebrovascular disease UNIV ZHEJIANG 2012-08-22 CN claimed
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-10336743-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2019-07-02 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
CN-108191806-A A kind of synthetic method of biphenyl type 4H- benzos [b] pyran compounds 五邑大学 2018-06-22 CN disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS P2K DYNAMICS INC. 2017-08-31 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
US-9629840-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2017-04-25 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 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-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS PIM1, PIM2, PIM3 ERN1 638/4885TLR2 3393/4885TLR1 2928/4885
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS ERN1 592/4885TLR2 2288/4885TLR1 956/4885
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 ERN1 411/4885TLR2 4803/4885TLR1 4151/4885
US-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ERN1 3739/4885TLR2 1308/4885TLR1 1551/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 ERN1 411/4885TLR2 4803/4885TLR1 4151/4885
US-10336743-B2 Aminopyrimidine kinase inhibitors PIM1, PIM2, PIM3 ERN1 572/4885TLR2 3372/4885TLR1 2759/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ERN1 3739/4885TLR2 1308/4885TLR1 1551/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 ERN1 402/4885TLR2 4790/4885TLR1 4138/4885

“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.