SCHEMBL4570872

SCHEMBL4570872

Cc1ccc2oc(=O)c(C)c(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.57
ALDH1A2 O94788 1/20 0.55
ALDH2 P05091 1/20 0.55
ALDH1B1 P30837 1/20 0.55
ALDH1A3 P47895 1/20 0.55
HSD17B3 P37058 1/20 0.52
KDM4E B2RXH2 6/20 0.51
MAPT P10636 5/20 0.51
CYP3A4 P08684 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAOB P27338 3/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL29209094 0.85 NQO1 (0.64) NQO1HSD17B3KDM4EMAPTCYP3A4
SCHEMBL17861953 0.85 NQO1 (0.51) NQO1KDM4EMAPTCYP3A4MEN1
SCHEMBL3682321 0.83 HSD17B3 (0.67) ALDH1A2ALDH2ALDH1B1ALDH1A3HSD17B3
SCHEMBL29406593 0.83 HSD17B3 (0.67) ALDH1A2ALDH2ALDH1B1ALDH1A3HSD17B3
SCHEMBL11658187 0.82 NQO1 (0.53) NQO1KDM4EMAPTCYP3A4MEN1
SCHEMBL11330155 0.81 KDM4E (0.56) NQO1KDM4EMAPTCYP3A4MEN1
SCHEMBL19635944 0.81 HSD17B3 (0.60) NQO1HSD17B3KDM4EMAPTCYP3A4
SCHEMBL30876199 0.81 HSD17B3 (0.60) NQO1HSD17B3KDM4EMAPTCYP3A4
SCHEMBL27950169 0.81 NQO1 (0.48) NQO1KDM4EMAPTCYP3A4MEN1
SCHEMBL10795110 0.80 HSD17B3 (0.73) ALDH1A2ALDH2ALDH1B1ALDH1A3HSD17B3

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
US-8168627-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2012-05-01 US disclosed
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS ENDORECHERCHE, INC. (CA) 2010-09-09 US disclosed
US-7709516-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2010-05-04 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-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS AR, SHBG, CYP17A1 NQO1 947/4885ALDH1A2 1701/4885ALDH2 1161/4885

“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.