SCHEMBL3945845

SCHEMBL3945845

O=C(O)C=CC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
SRD5A2 P31213 1/20 0.44
CYP1B1 Q16678 1/20 0.43
PTAFR P25105 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40
GSK3B P49841 1/20 0.39

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
SCHEMBL3945842 1.00 ALOX15 (0.48) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL10399085 1.00 ALOX15 (0.48) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL4098224 0.95 CES2 (0.53) ALOX15TSHRCES2CES1CYP1B1
SCHEMBL4098220 0.95 CES2 (0.53) ALOX15TSHRCES2CES1CYP1B1
SCHEMBL4098216 0.95 CES2 (0.53) ALOX15TSHRCES2CES1CYP1B1
SCHEMBL3949027 0.87 NR4A1 (0.45) CES2CES1SRD5A2CYP1B1CYP1A2
SCHEMBL3949024 0.87 NR4A1 (0.45) CES2CES1SRD5A2CYP1B1CYP1A2
SCHEMBL3949030 0.87 NR4A1 (0.45) CES2CES1SRD5A2CYP1B1CYP1A2
SCHEMBL3942080 0.84 KMT2A (0.47) MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL3942084 0.84 KMT2A (0.47) MAPTCYP1A2CYP2C19ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed
US-5332857-A 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1994-07-26 US disclosed
US-5151545-A 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1992-09-29 US disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
WO-1989003212-A1 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-04-20 WO disclosed
EP-0312269-A2 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-04-19 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed
EP-0124791-A1 Aralkanamidophenyl compounds AMERICAN CYANAMID COMPANY (US) 1984-11-14 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 ALOX15 3642/4885TSHR 425/4885CES2 3693/4885

“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.