SCHEMBL12893331

SCHEMBL12893331

Cc1ccc([C@]2(c3ccc(O)cc3)CC[C@@H](C(F)(F)F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.46
ESR1 P03372 5/20 0.46
ACHE P22303 1/20 0.41
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
TRPA1 O75762 1/20 0.33
MGAT2 Q10469 1/20 0.32
OPRM1 P35372 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2248329 0.92 ESR2 (0.53) ESR2ESR1
SCHEMBL12893336 0.86 ESR1 (0.39) ESR2ESR1ACHEOPRM1
SCHEMBL1255425 0.86 ESR2 (0.47) ESR2ESR1MAOBMAOATRPA1
SCHEMBL14260542 0.86 ESR2 (0.47) ESR2ESR1MAOBMAOATRPA1
SCHEMBL12893332 0.86 ESR2 (0.47) ESR2ESR1OPRM1KMT2A
SCHEMBL25767034 0.86 ESR2 (0.47) ESR2ESR1ACHEMAOBMAOA
SCHEMBL1256648 0.86 ESR2 (0.47) ESR2ESR1OPRM1KMT2A
SCHEMBL12893312 0.83 ESR2 (0.40) ESR2ESR1ACHEACACBACACA
SCHEMBL14531518 0.81 ESR2 (0.42) ESR2ESR1ACACBACACA
SCHEMBL2248696 0.81 CA2 (0.46) ESR2ESR1

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-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 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-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 ESR2 1/4885ESR1 2/4885ACHE 1943/4885

“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.