SCHEMBL1611038

SCHEMBL1611038

CCCCCCc1ccc(-c2cc(C(=O)OC)c(-c3ccc(CCCCCC)s3)cc2C(=O)OC)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 3/20 0.41
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38

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
SCHEMBL27804903 0.89 KDM4E (0.45) HPGDHSD17B10CNR2CNR1KDM4E
SCHEMBL12712157 0.87 HPGD (0.35) HPGDPOLBTDP1HSD17B10CNR2
SCHEMBL12712180 0.85 HPGD (0.34) HPGDPOLBTDP1HSD17B10CNR2
SCHEMBL1610392 0.85 KAT8 (0.47) POLBTDP1RXFP1PPARGPPARA
SCHEMBL16377597 0.83 GAA (0.43) HPGDTDP1HSD17B10KDM4EMAPT
SCHEMBL13722678 0.83 KAT8 (0.45) POLBTDP1RXFP1PPARGPPARA
SCHEMBL11334669 0.82 HSD17B10 (0.43) HPGDPOLBTDP1HSD17B10CNR2
SCHEMBL7211528 0.80 HPGD (0.57) HPGDPOLBTDP1RXFP1PPARG
SCHEMBL16377599 0.79 GABRP (0.46) POLBTDP1RXFP1MAPTPPARG
SCHEMBL16263929 0.79 HPGD (0.40) HPGDPOLBTDP1HSD17B10CNR2

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-2248818-B1 ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL CO (JP) 2014-09-24 EP disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 HPGD 2728/4885POLB 2185/4885TDP1 2129/4885

“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.