SCHEMBL1121965

SCHEMBL1121965

C=CCSCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 3/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37

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
Phosphine SCHEMBL28217429 0.96 CYP2C19 (0.41) CYP2C19ALOX5SMN1; SMN2CYP1A2CYP2D6
SCHEMBL8539247 0.88 SMN1; SMN2 (0.50) CYP2C19ALOX5SMN1; SMN2CYP1A2CYP2D6
Allylbenzene SCHEMBL27888624 0.82 MAOB (0.48) CYP2C19SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL21189957 0.80 PTGS2 (0.40) CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4
SCHEMBL19785650 0.80 PTGS2 (0.40) CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4
SCHEMBL27973299 0.80 ALDH1A1 (0.48) CYP2C19CYP1A2CYP2D6CYP2C9CYP3A4
SCHEMBL13138373 0.80 CYP1A2 (0.52) CYP2C19ALOX5SMN1; SMN2CYP1A2CYP2D6
SCHEMBL10671966 0.78 IDO1 (0.42) CYP2C19ALOX5SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10974240 0.78 CYP2C19 (0.50) CYP2C19SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL45130 0.78 ESR1 (0.41) CYP2C19ALOX5SMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420496-A Preparation method of 4, 5-pentafluoropentylthiol 新未来(天津)生物科技有限公司 2024-08-02 CN claimed
CN-117701324-A Pitting-resistant vehicle gear oil and preparation method thereof 郑州机械研究所有限公司 2024-03-15 CN claimed
CN-113930275-B Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-12-06 CN claimed
CN-113930275-A Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-01-14 CN claimed
WO-2004074316-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS GILON CHAIM (IL) 2004-09-02 WO claimed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP claimed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 WO claimed
US-3966720-A Process for producing desacetoxy cephalosporanic acid compound NIKKEN CHEMICALS CO., LTD. (JA) 1976-06-29 US claimed
US-3944491-A ALKYLBENZYL MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1976-03-16 US claimed
US-12296325-B2 Catalyst for hydrosilylation reaction, hydrogenation reaction, and hydrosilane reduction reaction KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2025-05-13 US disclosed
CN-119039217-A N-alkyl pyridyl quaternary ammonium salt substituted diazoacetate and preparation method and application thereof 常州大学 2024-11-29 CN disclosed
CN-118420496-A Preparation method of 4, 5-pentafluoropentylthiol 新未来(天津)生物科技有限公司 2024-08-02 CN disclosed
CN-117720447-A Method for synthesizing 1,3-N, S compound by rhodium catalysis 华南理工大学 2024-03-19 CN disclosed
CN-117701324-A Pitting-resistant vehicle gear oil and preparation method thereof 郑州机械研究所有限公司 2024-03-15 CN disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4248795-A BY OXIDATION OF THE CORRESPONDING SULFIDE WITH AN AQUEOUS PERACID SOLUTION UNION CARBIDE CORPORATION (US) 1981-02-03 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed
US-4097526-A OXIDIZING SULFIDE COMPOUND WITH HYDROGEN PEROXIDE, A CARBOXYLIC ACID, MINERAL OR SULFONIC ACID CATALYSTS UNION CARBIDE CORPORATION (US) 1978-06-27 US disclosed
US-3944491-A ALKYLBENZYL MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1976-03-16 US disclosed
US-3944491-A ALKYLBENZYL MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1976-03-16 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 (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-12296325-B2 Catalyst for hydrosilylation reaction, hydrogenation reaction, and hydrosilane reduction reaction H1-0, HVCN1, H1-2 CYP2C19 2372/4885ALOX5 1562/4885SMN1; SMN2 490/4885

“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.