SCHEMBL13495833

SCHEMBL13495833

CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)O)CCC12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.74
SRD5A2 P31213 10/20 0.74
LMNA P02545 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CHRM1 P11229 1/20 0.74
HSD3B1 P14060 1/20 0.74
NFKB1 P19838 1/20 0.74
MAPK1 P28482 1/20 0.74
THPO P40225 1/20 0.74
BLM P54132 1/20 0.74

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
SCHEMBL1099189 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9233678 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL10000653 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14397978 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14477868 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL1108300 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL24503471 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790006 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790007 1.00 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL25772412 1.00 SRD5A1 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048598-A1 TOPICAL COMPOSITIONS COMPRISING 5-ALPHA REDUCTASE INHIBITORS DR. REDDY'S LABORATORIES LIMITED (IN) 2010-02-25 US disclosed
US-20100048598-A1 TOPICAL COMPOSITIONS COMPRISING 5-ALPHA REDUCTASE INHIBITORS DR. REDDY'S LABORATORIES LIMITED (IN) 2010-02-25 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-20100048598-A1 TOPICAL COMPOSITIONS COMPRISING 5-ALPHA REDUCTASE INHIBITORS CYP17A1, SRD5A1, SRD5A2 SRD5A1 2/4885SRD5A2 3/4885LMNA 3656/4885

“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.