SCHEMBL3073163

SCHEMBL3073163

O=C(O)C1C(=S)C=Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTR2A P28223 1/20 0.37
EDNRA P25101 2/20 0.36
CYP2D6 P10635 1/20 0.36
ATM Q13315 1/20 0.36
P2RY2 P41231 7/20 0.35
P2RX4 Q99571 2/20 0.33
EDNRB P24530 1/20 0.33
EGFR P00533 2/20 0.33
SRC P12931 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX7 Q99572 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL8797292 0.86 HTR2A (0.43) KDM4EALDH1A1POLBHTR2AEDNRA
SCHEMBL11184478 0.85 KDM4E (0.38) KDM4EALDH1A1POLBHTR2ACYP2D6
SCHEMBL11194965 0.85 KDM4E (0.38) KDM4EALDH1A1POLBHTR2ACYP2D6
SCHEMBL11710445 0.84 ATM (0.44) KDM4EALDH1A1POLBHTR2ACYP2D6
SCHEMBL7658701 0.84 KDM4E (0.38) KDM4EALDH1A1POLBHTR2ACYP2D6
SCHEMBL3056750 0.80 ALDH1A1 (0.39) KDM4EALDH1A1POLBCYP2D6ATM
SCHEMBL129881 0.79 CYP2D6 (0.44) KDM4EALDH1A1POLBHTR2AEDNRA
SCHEMBL31379445 0.79 CYP2D6 (0.44) KDM4EALDH1A1POLBHTR2AEDNRA
SCHEMBL9750458 0.78 ABAT (0.39) KDM4EALDH1A1POLBHTR2AP2RY2
SCHEMBL6014069 0.78 KDM4E (0.38) KDM4EALDH1A1POLBHTR2AEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332881-B Preparation method of thioester derivative 大连理工常熟研究院有限公司 2023-08-08 CN claimed
CN-116332881-A Preparation method of thioester derivative 大连理工常熟研究院有限公司 2023-06-27 CN claimed
CN-122036588-A Drug design strategy for releasing hydrogen sulfide based on enzymolysis thiocarbonyl and application of drug design strategy in indole mother nucleus drug modification 中国药科大学 2026-05-15 CN disclosed
CN-122036573-A Drug design strategy for releasing hydrogen sulfide based on enzymolysis thiocarbonyl and application of drug design strategy in diclofenac-like drug modification 中国药科大学 2026-05-15 CN disclosed
CN-122036574-A Drug design strategy for releasing hydrogen sulfide based on enzymolysis thiocarbonyl and application of drug design strategy in modification of terminal carboxylic acid drug 中国药科大学 2026-05-15 CN disclosed
US-12552890-B2 Chiral azobenzene polymer crosslinked thin film and preparation method therefor and application thereof SOOCHOW UNIVERSITY (CN) 2026-02-17 US disclosed
CN-119490441-A Prodrug design strategy for releasing hydrogen sulfide based on direct esterase hydrolysis thiocarboxylic acid and application of prodrug design strategy in modification of carboxylic acid drugs 中国药科大学 2025-02-21 CN disclosed
US-20240294684-A1 CHIRAL AZOBENZENE POLYMER CROSSLINKED THIN FILM AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2024-09-05 US disclosed
CN-116332881-B Preparation method of thioester derivative 大连理工常熟研究院有限公司 2023-08-08 CN disclosed
CN-116332881-A Preparation method of thioester derivative 大连理工常熟研究院有限公司 2023-06-27 CN disclosed
CN-112409616-A Chiral azobenzene polymer crosslinked film and preparation method and application thereof 苏州大学 2021-02-26 CN disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-5807813-A Lubricating oil composition IDEMITSU KOSAN CO., LTD. (JP) 1998-09-15 US disclosed
EP-0783032-A1 LUBRICATING OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-09 EP disclosed
EP-0240212-B1 PREPARATION OF HIGHLY PURE ALPHA-METHYLSTYRENE POLYMER THE DOW CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
US-4748222-A Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1988-05-31 US disclosed
EP-0058217-B1 A PROCESS FOR PRODUCING A RANDOM COPOLYMER AND RANDOM COPOLYMER PHILLIPS PETROLEUM COMPANY (US) 1987-05-06 EP disclosed
US-4368327-A REACTION OF CORRESPONDING FURANONE WITH SALT OF THIOCARBOXYLIC ACID CIBA-GEIGY CORPORATION (US) 1983-01-11 US disclosed
EP-0058217-A1 A process for producing a random copolymer and random copolymer PHILLIPS PETROLEUM COMPANY (US) 1982-08-25 EP disclosed
US-4277591-A ORGANOLITHIUM INITIATOR AND AN ORGANIC COMPOUND OF SODIUM, POTASSIUM, RUBIDIUM, OR CESIUM PHILLIPS PETROLEUM COMPANY (US) 1981-07-07 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-12552890-B2 Chiral azobenzene polymer crosslinked thin film and preparation method therefor and application thereof LIMA1, SMCHD1, CDH1 KDM4E 786/4885ALDH1A1 970/4885POLB 2824/4885

“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.