SCHEMBL184702

SCHEMBL184702

FC(F)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
TAAR1 Q96RJ0 4/20 0.50
SIGMAR1 Q99720 3/20 0.50
SLC6A2 P23975 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP1A2 P05177 1/20 0.48
SLC18A2 Q05940 1/20 0.46
ANPEP P15144 1/20 0.46
CYP2D6 P10635 1/20 0.46
CALM1 P0DP23 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 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
Hydrochloric Acid SCHEMBL28702786 0.95 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL28718260 0.85 TAAR1 (0.50) TAAR1PTGS1
SCHEMBL30657566 0.82 EPHX1 (0.55) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL28936983 0.79 ALDH1A1 (0.45) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL6282853 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1033148 0.78 SIGMAR1 (0.58) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1287175 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5609928 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5027439 0.78 EPHX1 (0.64) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1821551 0.78 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
WO-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
CN-112794955-A Low-water-absorption polyimide resin and preparation method thereof 长沙新材料产业研究院有限公司 2021-05-14 CN claimed
EP-2422791-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2014-12-17 EP claimed
US-8586744-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2013-11-19 US claimed
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 EP claimed
EP-2422791-A1 Antiviral phosphinate compounds Gilead Sciences, Inc. (US) 2012-02-29 EP claimed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US claimed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US claimed
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 EP claimed
EP-0508445-A1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP claimed
EP-0508393-A1 N-arylheteroarylalkyl imidazol-2-one compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP claimed
US-5155117-A Hypotensive agents G. D. SEARLE & CO. (US) 1992-10-13 US claimed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO claimed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP claimed
WO-1992015577-A1 N-SUBSTITUTED (ALPHA-IMIDAZOLYL-TOLUYL) PYRROLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-09-17 WO claimed
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US claimed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO claimed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO claimed

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-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA EPHX1 3290/4885TAAR1 4320/4885SIGMAR1 3025/4885

“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.