SCHEMBL499727

SCHEMBL499727

CCOc1c[c]cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
AHR P35869 1/20 0.47
NQO1 P15559 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CALM1 P0DP23 1/20 0.40
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL907784 0.91 NQO1 (0.52) ESR1AHRNQO1ALDH1A1MAPT
SCHEMBL63193 0.85 ALDH1A1 (0.59) ESR1AHRALDH1A1ABL1ABCB1
SCHEMBL28321856 0.83 ALDH1A1 (0.56) ESR1AHRALDH1A1ABL1ABCB1
SCHEMBL28089288 0.83 ALDH1A1 (0.56) ESR1AHRALDH1A1ABL1ABCB1
SCHEMBL28108949 0.83 ALDH1A1 (0.56) ESR1AHRALDH1A1ABL1ABCB1
SCHEMBL28007784 0.83 ALDH1A1 (0.56) ESR1AHRALDH1A1ABL1ABCB1
SCHEMBL17046422 0.83 AHR (0.42) ESR1AHRALDH1A1TSHRMAPK1
SCHEMBL16954667 0.81 AHR (0.53) AHRALDH1A1MAPTTSHRCYP3A4
SCHEMBL13485083 0.80 ALDH1A1 (0.61) ESR1AHRNQO1ALDH1A1CALM1
SCHEMBL13074291 0.80 ALDH1A1 (0.61) ESR1AHRNQO1ALDH1A1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP claimed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP claimed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO claimed
EP-3544962-B1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-07-28 EP disclosed
US-20200383329-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2020-12-10 US disclosed
EP-3544962-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2019-10-02 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US disclosed
WO-2018095811-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2018-05-31 WO disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
WO-1998002441-A2 NON IMMUNOSUPPRESSIVE ANTIFUNGAL RAPALOGS ARIAD PHARMACEUTICALS, INC. (US) 1998-01-22 WO disclosed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 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 (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-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 ESR1 2268/4885AHR 137/4885NQO1 549/4885
US-20200383329-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DPM1, AOC1 ESR1 4774/4885AHR 648/4885NQO1 65/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 ESR1 2257/4885AHR 139/4885NQO1 569/4885

“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.