SCHEMBL10108896

SCHEMBL10108896

COc1ccc([C@@H]2Cc3c(OC)cc(OC)cc3[C@@H]3CCC[C@H]23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
MAP2K3 P46734 1/20 0.40
KDM1A O60341 2/20 0.38
MAOA P21397 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
SCHEMBL318064 1.00 CYP3A4 (0.43) CYP3A4MAPK1TUBB4ATUBBTUBA3C
SCHEMBL319089 0.86 ESR1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10109158 0.86 ESR1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL318384 0.84 DRD2 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10109167 0.84 DRD2 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL318409 0.84 ESR1 (0.38) CYP3A4MAPK1TUBB4ATUBBTUBA3C
SCHEMBL10109225 0.84 ESR1 (0.38) CYP3A4MAPK1TUBB4ATUBBTUBA3C
SCHEMBL318402 0.83 ESR1 (0.40) CYP3A4MAPK1TUBB4ATUBBTUBA3C
SCHEMBL10109176 0.83 ESR1 (0.40) CYP3A4MAPK1TUBB4ATUBBTUBA3C
SCHEMBL317922 0.81 MEN1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 CYP3A4 2004/4885MAPK1 3434/4885TUBB4A 767/4885

“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.