SCHEMBL10109045

SCHEMBL10109045

COc1ccc(C2C(=O)c3ccc(OC)cc3[C@@H]3CC(C)(C)CC[C@H]23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAOA P21397 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.36
HSD17B1 P14061 1/20 0.36
RECQL P46063 1/20 0.36
MAOB P27338 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 1/20 0.36
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 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
SCHEMBL318352 1.00 ESR2 (0.45) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL10109098 0.91 ESR2 (0.45) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL318002 0.91 ESR2 (0.45) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL5420722 0.83 ESR2 (0.46) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL319627 0.82 ESR2 (0.49) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL10108815 0.82 ESR2 (0.49) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL10108855 0.82 ESR2 (0.49) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL317798 0.82 ESR2 (0.49) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL318611 0.76 ESR2 (0.46) ESR2MAPTSMN1; SMN2HPGDNPC1
SCHEMBL10108920 0.76 ESR2 (0.46) ESR2MAPTSMN1; SMN2HPGDNPC1

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
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
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 ESR2 1/4885MAPT 224/4885SMN1; SMN2 1932/4885

“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.