SCHEMBL97892

SCHEMBL97892

[O]CC=Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.58
IDO1 P14902 2/20 0.52
MAOB P27338 2/20 0.50
HTR2A P28223 3/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
TRPA1 O75762 1/20 0.48
ALOX5 P09917 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL7385940 1.00 PAM (0.58) PAMIDO1MAOBHTR2AALDH1A1
SCHEMBL97891 1.00 PAM (0.58) PAMIDO1MAOBHTR2AALDH1A1
SCHEMBL7377485 0.83 MAOB (0.64) PAMIDO1MAOBALDH1A1LMNA
SCHEMBL9777486 0.80 IDO1 (0.58) PAMIDO1MAOBHTR2AALDH1A1
SCHEMBL4863423 0.80 IDO1 (0.58) PAMIDO1MAOBHTR2AALDH1A1
SCHEMBL94815 0.80 PAM (0.54) PAMIDO1MAOBHTR2AALDH1A1
SCHEMBL94816 0.80 PAM (0.54) PAMIDO1MAOBHTR2AALDH1A1
SCHEMBL2308340 0.79 IDO1 (0.58) PAMIDO1MAOBHTR2A
SCHEMBL1172825 0.79 IDO1 (0.58) PAMIDO1MAOBHTR2A
SCHEMBL2399949 0.78 PAM (0.52) PAMIDO1MAOBHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440591-B Synthesis method of chiral dihydrosilane compound 浙江大学 2021-03-05 CN claimed
US-10053539-B2 Composition for film formation, film, production method of patterned substrate, and compound JSR CORPORATION (JP) 2018-08-21 US claimed
EP-1423372-B1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-07-20 EP claimed
EP-1915130-B1 LIQUID FORMULATIONS NOVARTIS AG (CH) 2016-07-13 EP claimed
US-20140242119-A1 AMINO ALCOHOL DERIVATIVES FOR THE TREATMENT OF DEMYELINATING PERIPHERAL NEUROPATHIES NOVARTIS AG (CH) 2014-08-28 US claimed
US-20130210924-A1 Dosage Regimen of Diaryl Sulfide Derivatives NOVARTIS AG (CH) 2013-08-15 US claimed
US-20130172297-A1 Treatment of Autoimmune Diseases NOVARTIS AG (CH) 2013-07-04 US claimed
EP-1944026-B1 Use of EDG receptor binding agents in cancer NOVARTIS AG (CH) 2013-06-26 EP claimed
EP-2566473-A1 DOSAGE REGIMEN OF DIARYL SULFIDE DERIVATIVES Novartis AG (CH) 2013-03-13 EP claimed
EP-2566470-A1 TREATMENT OF AUTOIMMUNE DISEASES Novartis AG (CH) 2013-03-13 EP claimed
EP-0298955-A1 UTILIZATION OF $g(a)-CETOCARBONIC ACID HYDRAZONES AND OXINES FOR TREATING CARDIAC OR CIRCULATORY DISEASES Roche Diagnostics GmbH (DE) 1989-01-18 EP claimed
WO-1986000522-A1 UTILIZATION OF alpha-CETOCARBONIC ACID HYDRAZONES AND OXINES FOR TREATING CARDIAC OR CIRCULATORY DISEASES BOEHRINGER MANNHEIM GMBH (DE) 1986-01-30 WO claimed
EP-0048911-B1 O-SUBSTITUTED OXIMES OF ALPHA-KETOCARBOXYLIC ACID, PREPARATION AND PHARMACEUTICAL COMPOSITIONS Roche Diagnostics GmbH (DE) 1984-12-05 EP claimed
US-4425360-A Pharmacologically active novel O-substituted pyruvic acid oximes BOEHRINGER MANNHEIM GMBH (DE) 1984-01-10 US claimed
EP-0005610-B1 1-(HETEROCYCLYLALKYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONES, THEIR PREPARATION, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS BETA-ADRENERGIC RECEPTOR BLOCKERS JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-15 EP claimed
EP-0048911-A2 O-substituted oximes of alpha-ketocarboxylic acid, preparation and pharmaceutical compositions Roche Diagnostics GmbH (DE) 1982-04-07 EP claimed
US-4262013-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-14 US claimed
US-4198425-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1980-04-15 US claimed
US-4181802-A ADRENERGIC BLOCKING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-01 US claimed
EP-0005610-A2 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-28 EP 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 (3 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-20130172297-A1 Treatment of Autoimmune Diseases SSB, C3AR1, HRH3 PAM 1706/4885IDO1 984/4885MAOB 904/4885
US-20130210924-A1 Dosage Regimen of Diaryl Sulfide Derivatives SULT2A1, CCNY, SULT1A1 PAM 1580/4885IDO1 2867/4885MAOB 924/4885
US-20140242119-A1 AMINO ALCOHOL DERIVATIVES FOR THE TREATMENT OF DEMYELINATING PERIPHERAL NEUROPATHIES PMP22, AQP4, ADH1A PAM 565/4885IDO1 1293/4885MAOB 527/4885

“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.