SCHEMBL4085538

SCHEMBL4085538

CCc1cc(-c2ccc(CC(=O)C=O)cc2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.43
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX5 P09917 4/20 0.42
NR1H4 Q96RI1 1/20 0.42
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
CNR2 P34972 2/20 0.40
CYP3A4 P08684 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERN1 O75460 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
DHFR P00374 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
SCHEMBL4457870 0.81 HSD17B1 (0.48) HSD17B1PKMALOX15ALOX5GABRA1
SCHEMBL12325012 0.78 HSD17B1 (0.59) HSD17B1ALOX5GABRA1GABRB2CNR2
SCHEMBL17079853 0.77 LMNA (0.56) MEN1KMT2AGAA
SCHEMBL4086023 0.75 HSD17B1 (0.64) HSD17B1MEN1KMT2AGAA
SCHEMBL17802304 0.73 ALDH1A1 (0.48) MEN1KMT2AHSD17B10
SCHEMBL4085535 0.72 ABCG2 (0.47) HSD17B1MEN1KMT2A
SCHEMBL4085532 0.72 KDM4E (0.60) PKMALOX15KMT2AHSD17B10GAA
SCHEMBL18808081 0.72 ALOX5 (0.42) HSD17B1PKMALOX15ALOX5GABRA1
SCHEMBL2320549 0.72 HTT (0.59) PKMCYP3A4KMT2A
SCHEMBL9859972 0.72 ALDH1A1 (0.69) HSD17B1PKMALOX15ALOX5CYP3A4

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 4/4885PKM 687/4885ALOX15 651/4885

“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.