SCHEMBL97322

SCHEMBL97322

O=CCCCC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.48
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.45
MAPK1 P28482 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
IDO1 P14902 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL22245646 1.00 PAM (0.48) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL97135 0.96 PAM (0.48) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL9232461 0.94 PAM (0.47) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL5485532 0.94 PAM (0.47) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL1248561 0.94 PAM (0.47) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL1248562 0.94 PAM (0.47) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL17746757 0.94 PAM (0.47) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL3402187 0.94 PAM (0.47) PAMTRPA1ALDH1A1LMNAALOX5
SCHEMBL3240089 0.89 IDO1 (0.52) PAMTRPA1SIGMAR1IDO1HDAC3
SCHEMBL2399949 0.87 PAM (0.52) PAMTRPA1ALDH1A1LMNAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
US-4547542-A NEUTRALIZED WITH AMINE TERMINATED POLYCAPROLACTONE EXXON RESEARCH AND ENGINEERING CO. (US) 1985-10-15 US disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4481318-A ADHESIVES, COMPATIBILTZERS OF BLENDS, THERMOPLASTIC ELASTOMERS EXXON RESEARCH & ENGINEERING CO. (US) 1984-11-06 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4446267-A NEUTRALIZED WITH TERTIARY AMINE TERMINATED POLYCAPROLACTONE, PLASTICIZER EXXON RESEARCH AND ENGINEERING CO. (US) 1984-05-01 US disclosed
US-4421898-A NEUTRALIZED WITH DIAMINE-MODIFIED POLYCAPROLACTONE EXXON RESEARCH AND ENGINEERING CO. (US) 1983-12-20 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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 PAM 3470/4885TRPA1 4802/4885ALDH1A1 3647/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PAM 4635/4885TRPA1 1926/4885ALDH1A1 2458/4885

“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.