SCHEMBL4085974

SCHEMBL4085974

CCc1cc(-c2ccc(C(=O)CCC(=O)NCCc3cccnc3)c(C)c2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.52
PTAFR P25105 9/20 0.50
TLR7 Q9NYK1 1/20 0.48
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4100708 0.92 HSD17B1 (0.62) HSD17B1CYP1A2CYP3A4MAPK1TSHR
SCHEMBL4099539 0.91 HSD17B1 (0.64) HSD17B1PTAFRTLR7MAPK1L3MBTL1
SCHEMBL4093511 0.88 HSD17B1 (0.67) HSD17B1PTAFRTLR7KMT2AMEN1
SCHEMBL4094282 0.81 HSD17B1 (0.77) HSD17B1PTAFRCYP1A2CYP3A4TSHR
SCHEMBL4091199 0.80 HSD17B1 (0.80) HSD17B1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4094136 0.79 HSD17B1 (0.82) HSD17B1PTAFRTLR7KMT2AMEN1
SCHEMBL4102741 0.79 HSD17B1 (0.65) HSD17B1PTAFRTLR7CYP1A2CYP3A4
SCHEMBL4092400 0.76 HSD17B1 (0.66) HSD17B1KMT2AMEN1
SCHEMBL4089722 0.75 HTT (0.59) HSD17B1CYP1A2KMT2ACYP2C19MEN1
SCHEMBL4095816 0.74 HSD17B1 (0.55) HSD17B1CYP1A2CYP3A4MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885PTAFR 3930/4885TLR7 4630/4885

“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.