SCHEMBL15979563

SCHEMBL15979563

COc1ccc2c(c1)CCC1C2CC[C@@]2(C)C13C=C[C@@]2(OC)CC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
HSD17B1 P14061 2/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ESR1 P03372 4/20 0.49
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
STS P08842 5/20 0.40
SRD5A1 P18405 2/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL9628187 0.88 ESR1 (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9725104 0.88 ESR1 (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9628599 0.85 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10644810 0.84 LMNA (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056152 0.81 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8055169 0.81 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8059625 0.81 LMNA (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056168 0.79 LMNA (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10645130 0.79 LMNA (0.50) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8959384 0.78 LMNA (0.53) 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-8987484-B2 Process for the production of estetrol ESTETRA S.P.R.L. (BE) 2015-03-24 US disclosed
US-20140243539-A1 Process for the Production of Estetrol ESTETRA S.P.R.L. (BE) 2014-08-28 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-20140243539-A1 Process for the Production of Estetrol VKORC1L1, CYP46A1, DHCR7 LMNA 1969/4885HSD17B1 15/4885MAPT 965/4885

“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.