SCHEMBL1908482

SCHEMBL1908482

C=CCc1cccc(Cl)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.66
GABRB2 P47870 2/20 0.66
AKR1B1 P15121 1/20 0.50
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX12 P18054 2/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL168974 0.85 GABRA1 (0.79) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL4231409 0.84 GABRA1 (0.71) GABRA1GABRB2AKR1B1HSP90AA1KMT2A
SCHEMBL11124585 0.80 GABRA1 (0.51) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL11119579 0.80 GABRA1 (0.51) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL2318046 0.80 HSP90AA1 (0.49) GABRA1GABRB2AKR1B1HSP90AA1KMT2A
SCHEMBL248573 0.79 PNMT (0.56) GABRA1GABRB2AKR1B1MAPTALDH1A1
SCHEMBL836026 0.79 GABRA1 (0.70) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL30817860 0.79 GABRA1 (0.70) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL1258090 0.79 GABRA1 (1.00) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL346369 0.79 GABRA1 (0.70) GABRA1GABRB2AKR1B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3130583-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-01-03 EP disclosed
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-15 US disclosed
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-15 US disclosed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2019-02-14 US disclosed
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2019-02-14 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-20080319102-A1 Dental Composition Containing Epoxy Functional Polymerizable Compounds 3M DEUTSCHLAND GMBH (DE) 2008-12-25 US disclosed
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components 3M DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components 3M DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components 3M DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
EP-1776079-A1 DENTAL COMPOSITION CONTAINING EPOXY FUNCTIONAL POLYMERIZABLE COMPOUNDS 3M Espe AG (DE) 2007-04-25 EP disclosed
EP-1765262-A1 DENTAL COMPOSITION CONTAINING UNSATURATED HALOGENATED ARYL ALKYL ETHER COMPONENTS 3M Espe AG (DE) 2007-03-28 EP disclosed
WO-2006005364-A1 DENTAL COMPOSITION CONTAINING UNSATURATED HALOGENATED ARYL ALKYL ETHER COMPONENTS 3M ESPE AG (DE) 2006-01-19 WO disclosed
WO-2006005365-A1 DENTAL COMPOSITION CONTAINING EPOXY FUNCTIONAL POLYMERIZABLE COMPOUNDS 3M ESPE AG (DE) 2006-01-19 WO disclosed
US-4924021-A Cyclic phenol organosilanes and method for their preparation HUELS AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
EP-0132651-A2 Use of cyclic phenol organosilane ester HÜLS AKTIENGESELLSCHAFT (DE) 1985-02-13 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 (5 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-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT GABRA1 2617/4885GABRB2 2762/4885AKR1B1 136/4885
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components DDX3X, TAS2R39, TAS1R1 GABRA1 610/4885GABRB2 1964/4885AKR1B1 1849/4885
US-20080319102-A1 Dental Composition Containing Epoxy Functional Polymerizable Compounds EPX, TAS2R30, TAS2R31 GABRA1 317/4885GABRB2 1375/4885AKR1B1 1654/4885
US-10442782-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof KMO, KYNU, AADAT GABRA1 2617/4885GABRB2 2762/4885AKR1B1 136/4885
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT GABRA1 2617/4885GABRB2 2762/4885AKR1B1 136/4885

“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.