SCHEMBL1109931

SCHEMBL1109931

Oc1c(Br)cc2ccccc2c1-c1c(O)c(Br)cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
TRPM4 Q8TD43 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 1/20 0.44
CYP1B1 Q16678 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NQO2 P16083 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.42
NQO1 P15559 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
HSP90AA1 P07900 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL12459029 0.88 CRHBP (0.52) ALOX5TRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL19821130 0.86 MEN1 (0.49) ALOX5ALDH1A1CRHBPCRHR2NQO1
SCHEMBL12459447 0.85 MEN1 (0.47) ALOX5ALDH1A1CRHBPCRHR2MEN1
SCHEMBL6545417 0.84 CASP6 (0.48) TRPM4ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL3923458 0.84 GABRA1 (0.42) ALOX5TRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL6600451 0.83 POLB (0.52) TRPM4ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL10530767 0.83 NQO1 (0.50) ALOX5TRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL22256374 0.80 ALDH1A1 (0.37) ALOX5TRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL22658046 0.79 TRPM4 (0.42) TRPM4ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL20564544 0.79 CYP1A2 (0.42) TRPM4ALDH1A1HIF1ACYP1B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111410967-B Circular polarization luminous chiral nematic liquid crystal material and preparation method and application thereof 国家纳米科学中心 2022-04-08 CN claimed
EP-3599234-B1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INT (DE) 2021-04-07 EP claimed
CN-111410967-A Circular polarization luminous chiral nematic liquid crystal material and preparation method and application thereof 国家纳米科学中心 2020-07-14 CN claimed
EP-3599234-A1 STEREOSELECTIVE PROCESS Boehringer Ingelheim International GmbH (DE) 2020-01-29 EP claimed
US-10189776-B2 Stereoselective process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-29 US claimed
US-20180258031-A1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-09-13 US claimed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US claimed
EP-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP claimed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US claimed
EP-2007728-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-31 EP claimed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO claimed
US-6339159-B1 REACTING AN ALDEHYDE COMPOUND, AN AMINO COMPOUND AND HYDROGEN CYANATE IN THE PRESENCE OF A CHIRAL ZIRCONIUM CATALYST OBTAINED BY MIXING ZIRCONIUM ALKOXIDE WITH OPTICALLY ACTIVE BINAPHTHOL COMPOUND TO FORM ALPHA-AMINONITRILE JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2002-01-15 US claimed
CN-116284143-B Platinum complex and organic electroluminescent device comprising same 季华恒烨(佛山)电子材料有限公司 2024-11-26 CN disclosed
CN-115448961-B Binuclear ionic complex and preparation method and application thereof 中化学科学技术研究有限公司 2024-09-06 CN disclosed
US-12060362-B2 Inhibitors of glucose transporters (GLUTs) LEAD DISCOVERY CENTER GMBH (DE) 2024-08-13 US disclosed
CN-116284143-A Platinum complex and organic electroluminescent device comprising same 季华恒烨(佛山)电子材料有限公司 2023-06-23 CN disclosed
WO-2007124383-A2 1,1'-BINAPHTHYL-BASED INHIBITORS OF NAD+-DEPENDENT DEACETYLASE ACTIVITY AND SIR2-FAMILY MEMBERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2007-11-01 WO disclosed
WO-2007124383-A2 1,1'-BINAPHTHYL-BASED INHIBITORS OF NAD+-DEPENDENT DEACETYLASE ACTIVITY AND SIR2-FAMILY MEMBERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2007-11-01 WO disclosed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO disclosed
US-6339159-B1 REACTING AN ALDEHYDE COMPOUND, AN AMINO COMPOUND AND HYDROGEN CYANATE IN THE PRESENCE OF A CHIRAL ZIRCONIUM CATALYST OBTAINED BY MIXING ZIRCONIUM ALKOXIDE WITH OPTICALLY ACTIVE BINAPHTHOL COMPOUND TO FORM ALPHA-AMINONITRILE JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2002-01-15 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 (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-12060362-B2 Inhibitors of glucose transporters (GLUTs) SLC2A1, SLC2A3, SLC2A4 ALOX5 2707/4885TRPM4 2148/4885ALDH1A1 364/4885
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES PCSK9, LSS, DHCR7 ALOX5 293/4885TRPM4 2123/4885ALDH1A1 2381/4885
US-10189776-B2 Stereoselective process CYP4A11, CYP4B1, CYP3A4 ALOX5 642/4885TRPM4 1670/4885ALDH1A1 316/4885
US-20180258031-A1 STEREOSELECTIVE PROCESS CYP4A11, CYP4B1, CYP3A4 ALOX5 642/4885TRPM4 1670/4885ALDH1A1 316/4885

“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.