SCHEMBL791853

SCHEMBL791853

COc1ccccc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.74
ADRA1D P25100 4/20 0.74
ADRA1A P35348 4/20 0.74
ADRA1B P35368 4/20 0.74
APP P05067 1/20 0.72
RXRA P19793 1/20 0.69
ATM Q13315 1/20 0.67
MAPT P10636 2/20 0.64
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MRGPRX4 Q96LA9 1/20 0.63
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LIPE Q05469 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
ABCB1 P08183 3/20 0.57

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
SCHEMBL30416387 1.00 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BAPP
Ammonia Solution, Strong SCHEMBL2063054 0.98 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL906201 0.92 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BAPP
Ethylamine SCHEMBL28464910 0.91 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL339812 0.89 MAPT (0.71) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL9474602 0.88 APP (0.69) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL9615215 0.88 MRGPRX4 (0.69) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL1639591 0.86 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL3232989 0.86 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL15264273 0.84 APP (0.69) HTR1AADRA1DADRA1AADRA1BAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980372-A High-specificity high-density lipoprotein PEG-cyclodextrin sulfate system additive 东软威特曼生物科技(南京)有限公司 2023-04-18 CN claimed
CN-110054588-A A kind of synthetic method of 6- benzyloxy -7- methoxyl group -3,4- dihydro-isoquinoline 江苏省原子医学研究所 2019-07-26 CN claimed
CN-116396270-A Benzo [ b ] selenophen STING agonist fluorescent probe molecule and application thereof 中国药科大学 2023-07-07 CN disclosed
US-20190343754-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A PHOTOCROSSLINKABLE POLYVINYL ALCOHOL L'OREAL (FR) 2019-11-14 US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 US disclosed
US-20140336259-A1 PHENOLIC COMPOUNDS WITH ANTIOXIDANT AND ANTI-CANCER PROPERTIES, ANALOGS AND SYNTHESIS THEREOF FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC (CA) 2014-11-13 US disclosed
US-20140336259-A1 PHENOLIC COMPOUNDS WITH ANTIOXIDANT AND ANTI-CANCER PROPERTIES, ANALOGS AND SYNTHESIS THEREOF FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC (CA) 2014-11-13 US disclosed
CN-102124012-B Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARM LTD 2014-07-02 CN disclosed
EP-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
US-5723489-A ADRENERGIC BLOCKING AGENTS OR STIMULANTS FOR GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-03-03 US disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed
EP-0634401-B1 MDR reversal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
US-5639887-A MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1997-06-17 US disclosed
US-5561141-A POTENTIATE ACTIVITY OF ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1996-10-01 US disclosed
US-5550149-A SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5387685-A MDR reversal agents AMERICAN CYANAMID COMPANY 1995-02-07 US disclosed
EP-0634401-A1 MDR reversal agents AMERICAN CYANAMID COMPANY (US) 1995-01-18 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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HTR1A 123/4885ADRA1D 135/4885ADRA1A 132/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HTR1A 123/4885ADRA1D 135/4885ADRA1A 132/4885
US-20140336259-A1 PHENOLIC COMPOUNDS WITH ANTIOXIDANT AND ANTI-CANCER PROPERTIES, ANALOGS AND SYNTHESIS THEREOF GPX1, CAT, GPX4 HTR1A 4730/4885ADRA1D 4013/4885ADRA1A 3852/4885
US-20190343754-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A PHOTOCROSSLINKABLE POLYVINYL ALCOHOL KRT18, CUTA, DSG1 HTR1A 4447/4885ADRA1D 3332/4885ADRA1A 3239/4885

“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.