SCHEMBL3877022

SCHEMBL3877022

COc1ccc2c(c1)C[C@@H](C)[C@H]1C3=CC=C(O[Si](C)(C)C)[C@@]3(C)CC[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A2 P23975 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
SCHEMBL3872126 0.88 HSD17B1 (0.38) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL7127376 0.85 ESR1 (0.43) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3874329 0.82 LMNA (0.47) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6570677 0.77 HSD17B1 (0.43) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3873197 0.77 LMNA (0.47) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4370456 0.74 LMNA (0.42) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4370949 0.74 HSD17B1 (0.36) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3874456 0.74 HSD17B1 (0.36) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5973177 0.73 LMNA (0.47) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6572198 0.73 LMNA (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291929-A1 STEROIDS HAVING A MIXED ANDROGENIC AND PROGESTAGENIC PROFILE N.V. ORGANON (NL) 2009-11-26 US disclosed
EP-1893630-B1 STEROIDS HAVING A MIXED ANDROGENIC AND PROGESTAGENIC PROFILE ORGANON NV (NL) 2009-09-02 EP disclosed
EP-1893630-A1 STEROIDS HAVING A MIXED ANDROGENIC AND PROGESTAGENIC PROFILE N.V. Organon (NL) 2008-03-05 EP disclosed
WO-2006134167-A1 STEROIDS HAVING A MIXED ANDROGENIC AND PROGESTAGENIC PROFILE N.V. ORGANON (NL) 2006-12-21 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-20090291929-A1 STEROIDS HAVING A MIXED ANDROGENIC AND PROGESTAGENIC PROFILE NR5A1, AR, CYP17A1 HSD17B1 18/4885LMNA 4054/4885MAPT 2481/4885

“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.