SCHEMBL3750468

SCHEMBL3750468

CC[C@@H]1Cc2cc(OC)ccc2[C@H]2CC[C@]3(C)C(=O)C[C@@H](C)[C@H]3[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 7/20 0.39
KDM4E B2RXH2 2/20 0.38
KCNH2 Q12809 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 2/20 0.37
STS P08842 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SRD5A1 P18405 1/20 0.36

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
SCHEMBL3755420 0.89 HRH3 (0.37) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6462748 0.88 LMNA (0.52) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6569575 0.88 LMNA (0.52) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL13049214 0.86 ESR1 (0.45) HSD17B1LMNAMAPTHSD17B10ESR1
SCHEMBL13049217 0.86 HRH3 (0.36) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL13079253 0.85 LMNA (0.49) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6467449 0.83 HSD17B1 (0.64) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3102817 0.83 HSD17B1 (0.64) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5973996 0.80 LMNA (0.44) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3744410 0.80 LMNA (0.44) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838516-B2 15 β-substituted steroids having selective estrogenic activity N.V. ORGANON (NL) 2010-11-23 US disclosed
US-7838516-B2 15 β-substituted steroids having selective estrogenic activity N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1805201-B1 15beta-SUBSTITUTED STEROIDS HAVING SELECTIVE ESTROGENIC ACTIVITY ORGANON NV (NL) 2008-11-19 EP disclosed
US-20070254860-A1 15 Beta-Substituted Steroids Having Selective Estrogenic Activity N.V. ORGANON (NL) 2007-11-01 US disclosed
US-20070254860-A1 15 Beta-Substituted Steroids Having Selective Estrogenic Activity N.V. ORGANON (NL) 2007-11-01 US disclosed
EP-1805201-A1 15B-SUBSTITUTED STEROIDS HAVING SELECTIVE ESTROGENIC ACTIVITY N.V. Organon (NL) 2007-07-11 EP disclosed
WO-2006027347-A1 15β-SUBSTITUTED STEROIDS HAVING SELECTIVE ESTROGENIC ACTIVITY N.V. ORGANON (NL) 2006-03-16 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-20070254860-A1 15 Beta-Substituted Steroids Having Selective Estrogenic Activity HSD17B11, ESR2, CYP19A1 HSD17B1 15/4885LMNA 2504/4885MAPT 4868/4885

“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.