SCHEMBL3755420

SCHEMBL3755420

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.37
KCNH2 Q12809 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B1 P14061 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
STS P08842 5/20 0.36
ALDH1A1 P00352 1/20 0.35
ABCC4 O15439 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCC1 P33527 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ESR1 P03372 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL13049217 0.91 HRH3 (0.36) HRH3KCNH2LMNAMAPTHSD17B1
SCHEMBL3750468 0.89 HSD17B1 (0.47) HRH3KCNH2LMNAMAPTHSD17B1
SCHEMBL13049214 0.83 ESR1 (0.45) LMNAMAPTHSD17B1STSESR1
SCHEMBL6462748 0.77 LMNA (0.52) HRH3LMNAMAPTHSD17B1RECQL
SCHEMBL6569575 0.77 LMNA (0.52) HRH3LMNAMAPTHSD17B1RECQL
SCHEMBL13079253 0.74 LMNA (0.49) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL13049215 0.74 LMNA (0.40) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL3102817 0.73 HSD17B1 (0.64) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL6467449 0.73 HSD17B1 (0.64) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL7024195 0.71 USP2 (0.42) HRH3KCNH2MAPTKDM4ESTS

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
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
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 HRH3 761/4885KCNH2 1037/4885LMNA 2504/4885

“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.