SCHEMBL4210066

SCHEMBL4210066

CCC(=O)O[C@]1(C(=O)S)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
AR P10275 1/20 0.56
CYP19A1 P11511 10/20 0.53
CYP3A4 P08684 3/20 0.53
NR3C1 P04150 2/20 0.53
PGR P06401 2/20 0.53
USP2 O75604 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
ABCC3 O15438 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
HPGD P15428 1/20 0.47

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
SCHEMBL3476071 1.00 LMNA (0.61) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL4218580 0.92 LMNA (0.59) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL4210068 0.90 LMNA (0.59) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL3476075 0.90 LMNA (0.59) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL11822457 0.90 LMNA (0.58) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL4220494 0.89 LMNA (0.57) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL11583875 0.89 LMNA (0.68) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL28364035 0.87 LMNA (0.64) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL11230269 0.86 NR3C1 (0.71) LMNAARCYP3A4NR3C1PGR
SCHEMBL11806510 0.83 LMNA (0.57) LMNAMAPTARCYP19A1CYP3A4

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-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 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-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 LMNA 1076/4885MAPT 4793/4885AR 22/4885

“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.