SCHEMBL15979565

SCHEMBL15979565

COc1ccc2c(c1)CCC1C2CC[C@]2(C)C(=O)C(C)CC12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.71
LMNA P02545 4/20 0.71
MAPT P10636 1/20 0.71
RECQL P46063 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ESR1 P03372 4/20 0.63
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
CNR1 P21554 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
STS P08842 5/20 0.55
ABCC4 O15439 1/20 0.54

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
SCHEMBL11231177 1.00 HSD17B1 (0.71) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12164089 0.88 HSD17B1 (0.69) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL7933639 0.88 HSD17B1 (0.69) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14652461 0.88 LMNA (0.69) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL309293 0.88 HSD17B1 (0.69) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL309294 0.88 HSD17B1 (0.69) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11865928 0.88 ESR1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL9558249 0.88 LMNA (0.69) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL30844889 0.88 HSD17B1 (0.69) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL25571734 0.87 STS (0.73) 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 3 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
US-20140107091-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA S.A. (BE) 2014-04-17 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 (2 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 HSD17B1 15/4885LMNA 1969/4885MAPT 965/4885
US-20140107091-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES DHCR7, SULT1A1, SULT1E1 HSD17B1 114/4885LMNA 1804/4885MAPT 4641/4885

“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.