SCHEMBL10109104

SCHEMBL10109104

COc1ccc([C@@H]2Cc3ccc(OC)cc3[C@@H]3CCC(C)(C)C[C@H]23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HSD17B1 P14061 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 3/20 0.39
CYP19A1 P11511 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL318204 1.00 LMNA (0.41) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10109062 0.90 KDM1A (0.39) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL319617 0.90 KDM1A (0.39) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL317920 0.81 SHBG (0.41) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10109490 0.81 SHBG (0.41) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10108827 0.81 OPRM1 (0.41) CYP19A1OPRM1SIGMAR1CYP11B1KDM1A
SCHEMBL318577 0.81 NOS3 (0.43) CYP19A1OPRM1SIGMAR1CYP11B1KDM1A
SCHEMBL10108857 0.81 NOS3 (0.43) CYP19A1OPRM1SIGMAR1CYP11B1KDM1A
SCHEMBL318327 0.81 OPRM1 (0.41) CYP19A1OPRM1SIGMAR1CYP11B1KDM1A
SCHEMBL316606 0.76 LMNA (0.43) 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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG LMNA 2755/4885HSD17B1 168/4885MAPT 224/4885

“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.