SCHEMBL239404

SCHEMBL239404

CCc1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
POLQ O75417 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ATM Q13315 2/20 0.46
AKR1B1 P15121 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
DAO P14920 1/20 0.45
AR P10275 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL267005 0.98 IDO1 (0.53) IDO1POLQNPSR1MAOBMAOA
Methylamine SCHEMBL28261812 0.96 IDO1 (0.57) IDO1POLQNPSR1MAOBMAOA
SCHEMBL12631962 0.84 GABRA1 (0.44) IDO1POLQNPSR1MAOBMAOA
SCHEMBL12955733 0.84 GABRA1 (0.44) IDO1POLQNPSR1MAOBMAOA
SCHEMBL16105687 0.82 GABRA1 (0.43) IDO1POLQNPSR1MAOBMAOA
SCHEMBL327569 0.82 IDO1 (0.52) IDO1POLQNPSR1MAOBMAOA
SCHEMBL481000 0.81 IDO1 (0.55) IDO1POLQNPSR1MAOBMAOA
SCHEMBL5415312 0.80 GABRA1 (0.46) IDO1POLQGABRA1GABRB2AKR1B1
SCHEMBL21312967 0.80 GABRA1 (0.46) IDO1POLQNPSR1MAOBMAOA
SCHEMBL11967099 0.80 GABRA1 (0.46) IDO1POLQNPSR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011133-A The method that a kind of benzyl position C H keys are direct oxidation into ketone 中国科学技术大学 2017-08-04 CN claimed
CN-103382144-B Alkyl aromatic alpha- halogenation method UNIV HEBEI SCIENCE & TECH 2014-09-10 CN claimed
CN-103382144-A Alkyl aromatic alpha- halogenation method UNIV HEBEI SCIENCE & TECH 2013-11-06 CN claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
EP-4319872-A1 THIAZOLE/ISOTHIAZOLE HSD17B13 INHIBITORS AND USES THEREOF Inipharm, Inc. (US) 2024-02-14 EP disclosed
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
US-5405867-A Milbemycin derivatives with insecticidal and anthelmintic properties; for plants and animals SANKYO COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0394644-A2 Halobenzene derivatives BAYER AG (DE) 1990-10-31 EP disclosed
US-4963582-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO COMPANY LIMITED (JP) 1990-10-16 US disclosed
EP-0246739-A2 Macrolide compounds, their preparation and their use SANKYO COMPANY LIMITED (JP) 1987-11-25 EP disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 EP disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 EP disclosed
EP-0016132-A1 NEW SUBSTITUTED PHENYLUREA HERBICIDE RHONE-POULENC AGROCHIMIE (FR) 1980-10-01 EP disclosed
WO-1980000344-A1 NEW SUBSTITUTED PHENYLUREA HERBICIDE RHONE POULENC AGROCHIMIE (FR) 1980-03-06 WO 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 (6 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 IDO1 1626/4885POLQ 4412/4885NPSR1 27/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER IDO1 810/4885POLQ 644/4885NPSR1 3879/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC IDO1 2945/4885POLQ 869/4885NPSR1 755/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR IDO1 32/4885POLQ 4179/4885NPSR1 1223/4885
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF FLT3, ABL1, MCL1 IDO1 1596/4885POLQ 4259/4885NPSR1 2726/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 IDO1 3700/4885POLQ 2256/4885NPSR1 254/4885

“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.