SCHEMBL13079253

SCHEMBL13079253

COc1ccc2c(c1)C[C@@H](I)[C@H]1[C@@H]3[C@H](C)CC(=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
HSD17B1 P14061 2/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 4/20 0.38
STS P08842 5/20 0.38
SRD5A1 P18405 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
ABCC4 O15439 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCC1 P33527 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6462748 0.90 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6569575 0.90 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL13079251 0.85 ESR1 (0.46) LMNAHSD17B1MAPTKDM4EHSD17B10
SCHEMBL3750468 0.85 HSD17B1 (0.47) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8366649 0.80 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2760327 0.80 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL21276838 0.80 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6462744 0.79 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6535977 0.77 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14421698 0.77 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; 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 2 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-20070254860-A1 15 Beta-Substituted Steroids Having Selective Estrogenic Activity N.V. ORGANON (NL) 2007-11-01 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-20070254860-A1 15 Beta-Substituted Steroids Having Selective Estrogenic Activity HSD17B11, ESR2, CYP19A1 LMNA 2504/4885HSD17B1 15/4885MAPT 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.