SCHEMBL1190605

SCHEMBL1190605

[c]1cccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR1A P08908 6/20 0.49
DRD2 P14416 1/20 0.49
LIPE Q05469 1/20 0.47
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALPG P10696 1/20 0.45
PTK2B Q14289 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 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
SCHEMBL1119402 0.88 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL3767201 0.88 HTR1A (0.49) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL8732802 0.86 MAPT (0.46) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL27597893 0.85 HTR1A (0.43) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL28034423 0.84 MAPT (0.40) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL6614268 0.82 NPC1 (0.52) HTR1AADRA1DADRA1AADRA1BABCB1
SCHEMBL7294363 0.80 L3MBTL1 (0.46) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL7293597 0.80 MAPT (0.59) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL2721267 0.80 HPGD (0.41) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL7285309 0.80 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002505318-A 2002-02-19 JP claimed
US-6218426-B1 FOR THERAPY OF MAMMALIAN REPRODUCTIVE DISORDERS AND STEROID HORMONE-DEPENDENT TUMORS AS WELL AS FOR REGULATING FERTILITY, WHERE SUPPRESSION OF GONADOTROPIN RELEASE IS INDICATED AGOURON PHARMACEUTICALS, INC. 2001-04-17 US claimed
EP-1068178-A1 NON-PEPTIDE GnRH AGENTS AGOURON PHARMACEUTICALS, INC. (US) 2001-01-17 EP claimed
WO-1999044987-A1 NON-PEPTIDE GnRH AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1999-09-10 WO claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
WO-2023222124-A1 5,6-DIHYDRO-1,2,4-TRIAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF AS GLP-1 RECEPTOR AGONIST 中国科学院上海药物研究所 2023-11-23 WO disclosed
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-8563729-B2 Thienopyridone derivatives as AMP-activated protein kinase (AMPK) activators MERCK PATENT GMBH (DE) 2013-10-22 US disclosed
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 US disclosed
US-20120184693-A1 ETHYLENE POLYMER PREPARATION METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US disclosed
EP-0103945-B1 SUBSTITUTED BENZENEDIOLS AND BENZODIOXINS THE UPJOHN COMPANY (US) 1988-04-20 EP disclosed
US-4631291-A Enterobactin type compounds Yeda Research & Development Co. Limited (IL) 1986-12-23 US disclosed
US-4501892-A Pyridyl benzenediols THE UPJOHN COMPANY (US) 1985-02-26 US disclosed
EP-0103945-A2 Substituted benzenediols and benzodioxins THE UPJOHN COMPANY (US) 1984-03-28 EP disclosed
US-4176184-A CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS BOEHRINGER INGELHEIM GMBH (DE) 1979-11-27 US disclosed
US-3952021-A α-(3,4-Dimethoxyphenethylaminomethyl)-3,4 or 3,5-dihydroxybenzylalcohols and salts thereof TANABE SEIYAKU CO., LTD. (JA) 1976-04-20 US disclosed
US-3952021-A α-(3,4-Dimethoxyphenethylaminomethyl)-3,4 or 3,5-dihydroxybenzylalcohols and salts thereof TANABE SEIYAKU CO., LTD. (JA) 1976-04-20 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 (1 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-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885MAPK1 3555/4885TDP1 4465/4885

“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.