SCHEMBL721489

SCHEMBL721489

CCOc1cc[c]c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL128388 0.88 NQO1 (0.46) NQO1TP53CYP3A4MEN1NPC1
SCHEMBL8561252 0.86 NQO1 (0.33) NQO1CYP11B1CYP11B2TUBB4ATUBB
SCHEMBL1569511 0.85 ESR1 (0.39) NQO1CYP11B1CYP11B2TUBB4ATUBB
SCHEMBL8405324 0.84 AHR (0.44) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20703590 0.82 MAPK1 (0.42) NQO1TP53CYP3A4TUBB4ATUBB
SCHEMBL8348426 0.81 MAPK1 (0.37) CYP3A4AHRMEN1KMT2ATSHR
SCHEMBL9725912 0.81 NQO1 (0.40) NQO1TP53CYP3A4TUBB4ATUBB
SCHEMBL15474940 0.81 MAPK1 (0.40) NPC1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL77754 0.81 CA1 (0.39) CYP3A4MEN1KMT2ATSHRTDP1
SCHEMBL28400785 0.81 TSHR (0.47) TP53TSHRLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US claimed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US claimed
EP-2066657-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-06-10 EP claimed
WO-2008025735-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO claimed
WO-2007074238-A2 NOVEL N-ALK-(E)-YLIDENE-N'-PYRIMIDIN-2-YL HYDRAZINE DERIVATIVES AND USE THEREOF AS CYTOPROTECTIVE DRUGS TROPHOS (FR) 2007-07-05 WO claimed
EP-1212331-B1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS INC (US) 2004-04-21 EP claimed
US-6649595-B2 FK506 binding proteins (FKBPs); rapamysin derivatives; multimerizing chimeric proteins in genetically engineered cells using said derivatives ARIAD GENE THERAPEUTICS, INC. 2003-11-18 US claimed
US-20020107189-A1 FK506 binding proteins (FKBPs); rapamysin derivatives; multimerizing chimeric proteins in genetically engineered cells using said derivatives ARIAD PHARMACEUTICALS, INC. 2002-08-08 US claimed
EP-1212331-A1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS, INC. (US) 2002-06-12 EP claimed
JP-2002508971-A 2002-03-26 JP claimed
WO-2001014387-A1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS, INC. (US) 2001-03-01 WO claimed
US-6187757-B1 Regulation of biological events using novel compounds ARIAD PHARMACEUTICALS, INC. 2001-02-13 US claimed
EP-1045915-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-25 EP claimed
WO-1999036553-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-07-22 WO claimed
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
CN-110473989-B Method for manufacturing organic light emitting element 株式会社LG化学 2022-05-27 CN disclosed
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-12-02 US disclosed
US-4920110-A PESTICIDES, MITICIDES, TICKS, NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 1990-04-24 US disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP 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 (4 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-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 NQO1 457/4885TP53 4658/4885CYP3A4 1236/4885
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS OXTR, AVPR2, AVPR1B NQO1 2835/4885TP53 3280/4885CYP3A4 3668/4885
US-20020107189-A1 FK506 binding proteins (FKBPs); rapamysin derivatives; multimerizing chimeric proteins in genetically engineered cells using said derivatives FKBP2, FKBP14, FKBP4 NQO1 4587/4885TP53 415/4885CYP3A4 2404/4885
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPS17, RPS19, CDK17 NQO1 457/4885TP53 4658/4885CYP3A4 1236/4885

“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.