SCHEMBL512187

SCHEMBL512187

CC(C)NC(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 0.75
SRD5A2 P31213 7/20 0.75
LMNA P02545 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
ABCC4 O15439 1/20 0.75
ABCB11 O95342 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
CHRM1 P11229 1/20 0.75
HSD3B1 P14060 1/20 0.75
NFKB1 P19838 1/20 0.75
MAPK1 P28482 1/20 0.75
THPO P40225 1/20 0.75
BLM P54132 1/20 0.75

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
SCHEMBL8777107 0.91 SRD5A1 (0.72) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777104 0.91 SRD5A1 (0.72) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777125 0.91 SRD5A1 (0.72) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777091 0.91 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777093 0.91 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777172 0.91 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL11954113 0.89 SRD5A1 (0.80) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793048 0.89 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793051 0.89 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777111 0.88 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5595985-A Combination therapy for prophylaxis and/or treatment of benign prostatic hyperplasia ENDORECHERCHE INC. (CA) 1997-01-21 US claimed
US-20120029260-A1 Screening and Treatment Method BIOVIE INC. 2012-02-02 US disclosed
US-20110085984-A1 Drug Product and Process for Making BIOVIE INC. 2011-04-14 US disclosed
US-20070077203-A1 Surrogate markers BIOVIE INC. 2007-04-05 US disclosed
US-20070053832-A1 Drug product and process for making BIOVIE INC. 2007-03-08 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 (3 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-20070077203-A1 Surrogate markers TSG101, RAD50, DNASE1L3 SRD5A1 3667/4885SRD5A2 3610/4885LMNA 230/4885
US-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 SRD5A1 716/4885SRD5A2 603/4885LMNA 2153/4885
US-20070053832-A1 Drug product and process for making CYP2D6, CYP3A5, CYP2B6 SRD5A1 716/4885SRD5A2 603/4885LMNA 2153/4885

“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.