SCHEMBL97058

SCHEMBL97058

C[CH]c1cccc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.64
RELA Q04206 1/20 0.62
NFE2L2 Q16236 4/20 0.58
CYP19A1 P11511 1/20 0.56
NQO2 P16083 1/20 0.56
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55
TUBB2B Q9BVA1 1/20 0.55
TUBB1 Q9H4B7 1/20 0.55

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
SCHEMBL23158820 0.84 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL700056 0.84 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL2099510 0.84 CHRM5 (0.67) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL700055 0.84 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL31317665 0.84 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL471006 0.83 RELA (0.69) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL7194475 0.83 RELA (0.69) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL257114 0.83 RELA (0.69) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL6615780 0.80 CHRM5 (0.62) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL7684603 0.80 NPC1 (0.65) CHRM5RELANFE2L2CYP19A1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563943-A Bio-based polymer and preparation method thereof 中国科学院长春应用化学研究所 2019-12-13 CN claimed
US-10201527-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2019-02-12 US claimed
EP-3050871-B1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF UNIV INDUSTRY COOPERATION GROUP KYUNG HEE UNIV (KR) 2018-11-07 EP claimed
EP-1915149-B1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AETERNA ZENTARIS GMBH (DE) 2018-10-10 EP claimed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US claimed
US-10064843-B2 Bis-amide derivative and use thereof UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2018-09-04 US claimed
CN-105906486-B The synthetic method of Sarpogrelate intermediate 2 [2 (3 methoxyphenyl) ethyl] phenol 安徽修制药有限公司 2018-04-20 CN claimed
US-20170360757-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2017-12-21 US claimed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP claimed
US-20160297751-A1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2016-10-13 US claimed
US-6583179-B2 For therapy of uterine fibroids, endometriosis, polycystic ovarian disease, dysfunctional uterine bleeding, breast cancer and ovarian cancer; depletion of oocytes; spermatocyte depletion; for female and male contraception ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US claimed
EP-1313713-A2 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP claimed
US-20030008883-A1 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-09 US claimed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 US claimed
WO-2002012198-A2 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
WO-1999059409-A1 COMPOUNDS AND USES THEREOF MATSUMOTO RAE R (US) 1999-11-25 WO claimed
WO-1998034113-A1 COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0264908-B1 High sensitivity resists having autodecomposition temperatures greater than about 160 C IBM (US) 1996-03-20 EP claimed
US-4931379-A ADDITION POLYMERS HAVING PENDANT ACID-LABILE GROUPS, E.G CARBONATES, AND SIDECHAINS FOR ADDED STABILITY; SEMICONDUCTORS; MICROLITHOGRAPHY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1990-06-05 US claimed
EP-0264908-A2 High sensitivity resists having autodecomposition temperatures greater than about 160 C International Business Machines Corporation (US) 1988-04-27 EP claimed

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

For each of this compound's patents that has machine-readable text (6 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-10201527-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 CHRM5 4518/4885RELA 1549/4885NFE2L2 1568/4885
US-20030008883-A1 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods CASP3, CASP5, CASP4 CHRM5 1987/4885RELA 3486/4885NFE2L2 1081/4885
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR CHRM5 3909/4885RELA 1484/4885NFE2L2 233/4885
US-10064843-B2 Bis-amide derivative and use thereof CYP2C8, CYP4F8, CYP2F1 CHRM5 4651/4885RELA 1302/4885NFE2L2 2686/4885
US-20160297751-A1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF CYP2C8, CYP4F8, CYP2F1 CHRM5 4644/4885RELA 1352/4885NFE2L2 2505/4885
US-20170360757-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 CHRM5 4518/4885RELA 1549/4885NFE2L2 1568/4885

“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.