SCHEMBL4603929

SCHEMBL4603929

O=C(O)CCCCOc1c(C(=O)c2ccccc2)sc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
CXCR2 P25025 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 4/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
SENP5 Q96HI0 3/20 0.42
SENP2 Q9HC62 3/20 0.42
SENP1 Q9P0U3 3/20 0.42
CNR2 P34972 1/20 0.42
TBXA2R P21731 2/20 0.41
CYP1A2 P05177 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL4604559 0.99 PPARA (0.52) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4605404 0.96 PPARA (0.48) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4604716 0.92 GABRA1 (0.54) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4604908 0.92 PPARA (0.48) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4606256 0.91 GABRA1 (0.53) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4605712 0.91 PPARA (0.47) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4604089 0.88 SENP5 (0.47) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4604356 0.88 GABRA1 (0.55) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4604453 0.86 CXCR2 (0.59) PPARACXCR2ALDH1A1LMNAKMT2A
SCHEMBL4605692 0.86 CXCR2 (0.50) PPARACXCR2ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R PPARA 913/4885CXCR2 1633/4885ALDH1A1 1032/4885

“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.