SCHEMBL23950970

SCHEMBL23950970

COc1ccc2c(c1C)CCC1C3C[C@H](O)C[C@]3(C)CC[C@@]21C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL4623201 0.72 SRD5A1 (0.40) SRD5A1
SCHEMBL5682088 0.72 ESR1 (0.49) CYP3A4MAPT
SCHEMBL6260842 0.72 ESR1 (0.49) CYP3A4MAPT
SCHEMBL4589641 0.64 LMNA (0.39) CYP3A4ALDH1A1MAPT
SCHEMBL23568631 0.64 NR3C1 (0.46) CYP3A4ALDH1A1
SCHEMBL23569929 0.64 NR3C1 (0.46) CYP3A4ALDH1A1
SCHEMBL4589211 0.63 LMNA (0.38) CYP3A4ALDH1A1MAPT
SCHEMBL4588704 0.62 ESR1 (0.40) CYP3A4MAPT
SCHEMBL6232522 0.59 NR3C1 (0.41) CYP3A4ALDH1A1MAPT
SCHEMBL6233082 0.59 NR3C1 (0.41) CYP3A4ALDH1A1MAPT

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-11787835-B2 C19 scaffolds and steroids and methods of use and manufacture thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-10-17 US disclosed
US-20210323998-A1 C19 SCAFFOLDS AND STEROIDS AND METHODS OF USE AND MANUFACTURE THEREOF TRUSTEES OF DARTMOUTH COLLEGE 2021-10-21 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-20210323998-A1 C19 SCAFFOLDS AND STEROIDS AND METHODS OF USE AND MANUFACTURE THEREOF CYP17A1, HSD17B7, CYP11A1 CYP3A4 2472/4885ALDH1A1 4090/4885MAPT 2064/4885
US-11787835-B2 C19 scaffolds and steroids and methods of use and manufacture thereof CYP17A1, HSD17B7, CYP11A1 CYP3A4 2472/4885ALDH1A1 4090/4885MAPT 2064/4885

“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.