SCHEMBL5841808

SCHEMBL5841808

CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C(I)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 11/20 0.62
SRD5A1 P18405 5/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
HSD3B1 P14060 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
BLM P54132 1/20 0.62
AR P10275 1/20 0.48

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
SCHEMBL5841810 1.00 SRD5A2 (0.62) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL5317006 0.88 SRD5A2 (0.62) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL5317001 0.88 SRD5A2 (0.62) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL26155433 0.86 SRD5A2 (0.60) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL8762686 0.85 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL8762681 0.85 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL8761603 0.84 SRD5A2 (0.48) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL8761601 0.84 SRD5A2 (0.48) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL14477871 0.84 SRD5A2 (0.48) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL14355643 0.84 SRD5A2 (0.48) SRD5A2SRD5A1LMNACYP3A4CYP2C9

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
WO-2023082368-A1 4-AZASTEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖南科瑞生物制药股份有限公司 2023-05-19 WO disclosed
US-7038050-B2 Method for the preparation of highly pure 1-androstene derivatives HANMI PHARM. CO., LTD. (KR) 2006-05-02 US disclosed
EP-1646640-A1 METHOD FOR THE PREPARATION OF HIGHLY PURE 1-ANDROSTENE DERIVATIVES Hanmi Pharm. Co., Ltd. (KR) 2006-04-19 EP disclosed
US-20050245744-A1 Method for the preparation of highly pure 1-androstene derivatives HANMI PHARM. CO., LTLD. (KR) 2005-11-03 US disclosed
WO-2005007670-A1 METHOD FOR THE PREPARATION OF HIGHLY PURE 1-ANDROSTENE DERIVATIVES HANMI PHARM. CO., LTD. (KR) 2005-01-27 WO 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-20050245744-A1 Method for the preparation of highly pure 1-androstene derivatives CYP19A1, HSD17B11, CYP17A1 SRD5A2 12/4885SRD5A1 18/4885LMNA 4029/4885

“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.