SCHEMBL80355

SCHEMBL80355

O=C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.48
CES2 O00748 5/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL28632577 0.97 CES1 (0.46) CES1CES2ALDH1A1TSHRDAO
SCHEMBL8319798 0.86 KMT2A (0.59) ALDH1A1NAPRTCYP3A4L3MBTL1CYP2C19
SCHEMBL29366300 0.79 CES1 (0.65) CES1CES2ALDH1A1TSHRTDP1
SCHEMBL11549439 0.79 ACHE (0.48) CES1CES2ALDH1A1TDP1MAPT
Cyclohexylamine SCHEMBL9058337 0.78 MCL1 (0.38) ALDH1A1POLBKDM4EHPGDSMN1; SMN2
SCHEMBL29090797 0.78 CES1 (0.43) CES1CES2ALDH1A1TSHRDAO
Benzene SCHEMBL27538170 0.78 CES1 (0.43) CES1CES2ALDH1A1TSHRDAO
SCHEMBL31490046 0.78 NPC1 (0.47) ALDH1A1MAPTHSD17B10CYP3A4POLB
SCHEMBL8627872 0.76 CES1 (0.33) CES1CES2ALDH1A1TSHRDAO
SCHEMBL17728703 0.76 KMT2A (0.58) CES1CES2ALDH1A1NAPRTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073399-B Cinchona alkaloid catalyst and method for preparing chiral beta-butyrolactone compound from cinchona alkaloid catalyst 万华化学集团股份有限公司 2024-02-02 CN claimed
CN-115073399-A Cinchona alkaloid catalyst and method for preparing chiral beta-butyrolactone compound by using same 万华化学集团股份有限公司 2022-09-20 CN claimed
US-20160208114-A1 CONDUCTIVE POLYMERIC COATINGS, MEDICAL DEVICES, COATING SOLUTIONS AND METHODS HERAEUS MEDICAL COMPONENTS LLC 2016-07-21 US claimed
EP-3039087-A1 CONDUCTIVE POLYMERIC COATINGS, MEDICAL DEVICES, COATING SOLUTIONS AND METHODS SurModics, Inc. (US) 2016-07-06 EP claimed
WO-2015031265-A1 CONDUCTIVE POLYMERIC COATINGS, MEDICAL DEVICES, COATING SOLUTIONS AND METHODS SURMODICS, INC. (US) 2015-03-05 WO claimed
CN-1205927-C Water soluble trioxanes as potent and safe anti-malarial agents JOHNS HOPKING UNIV (US) 2005-06-15 CN claimed
US-20030013696-A1 Methods and compositions for photo-cross linking photoactive compounds to target tissue BRITISH COLUMBIA, UNIVERSITY OF, THE (CA) 2003-01-16 US claimed
WO-2002076453-A1 METHODS AND COMPOSITIONS FOR PHOTO-CROSS LINKING PHOTOACTIVE COMPOUNDS TO TARGET TISSUE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2002-10-03 WO claimed
CN-1365278-A Water soluble trioxanes as potent and safe anti-malarial agents JOHNS HOPKINGS UNIV (US) 2002-08-21 CN claimed
WO-2002018317-A2 PRODUCTION OF TERTIARY ESTERS FROM KETENES AND TERTIARY ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2002-03-07 WO claimed
US-4123460-A REACTING KETENE WITH A HALOGEN IN PRESENCE OF DIESTER OF PHOSPHORIC ACID LONZA, LTD (CH) 1978-10-31 US claimed
US-4088675-A Production of acyl phosphate salts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1978-05-09 US claimed
JP-54117433-A None JP disclosed
CN-122079860-A Anthracene-based fluorescent material and preparation method and application thereof 2026-05-26 CN disclosed
CN-122080036-A Triarylboron modified fluorescent material and preparation method and application thereof 2026-05-26 CN disclosed
US-12616777-B2 Silicone polyurea block copolymer coating compositions and methods INNOVATIVE SURFACE TECHNOLOGIES, INC. (US) 2026-05-05 US disclosed
US-3957760-A AMINO ACID DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1976-05-18 US disclosed
US-3955027-A FLUOROCARBON POLYMERS, EXTENDERS THE DOW CHEMICAL COMPANY (US) 1976-05-04 US disclosed
US-3932318-A COPOLYMERS WITH ISOCYANATES, CRYOGENIC POLYMERIZATION, NONFLAMMABLE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-13 US disclosed
US-3720622-A GENERATION OF LIGHT FROM THE DECOMPOSITION OF DIOXETANEONES IN THE PRESENCE OF A FLUORESCER AMERICAN CYANAMID CO 1973-03-13 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 (2 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-12616777-B2 Silicone polyurea block copolymer coating compositions and methods PGF, CASK, C9 CES1 3954/4885CES2 1322/4885ALDH1A1 3120/4885
US-20030013696-A1 Methods and compositions for photo-cross linking photoactive compounds to target tissue LCP1, PPOX, TYR CES1 1923/4885CES2 836/4885ALDH1A1 542/4885

“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.