SCHEMBL10247077

SCHEMBL10247077

COC(=O)c1ccc2c(c1)CCC(C)=C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.46
SRD5A2 P31213 2/20 0.46
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TRPA1 O75762 3/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 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
SCHEMBL10247228 0.88 TRPA1 (0.46) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL25107063 0.83 CA1 (0.44) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL12812833 0.82 NPC1 (0.49) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL10247300 0.81 TDP1 (0.50) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL18144740 0.80 CYP1A2 (0.43) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL9644030 0.78 CA1 (0.55) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL29600409 0.78 CA12 (0.41) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL354551 0.77 PTGS2 (0.55) CA1CA2MAPTALDH1A1KDM4E
SCHEMBL354124 0.76 NOTUM (0.40) SRD5A1SRD5A2CA12CA9CA1
SCHEMBL31249053 0.75 CA1 (0.45) SRD5A1SRD5A2CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SRD5A1 1128/4885SRD5A2 1259/4885CA12 1553/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 SRD5A1 1078/4885SRD5A2 1298/4885CA12 2004/4885

“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.