SCHEMBL1629503

SCHEMBL1629503

Cc1ccc(C23CCCCCC2Oc2ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.48
NR4A2 P43354 3/20 0.46
OPRM1 P35372 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL1632014 0.99 RXRA (0.47) RXRANR4A2OPRM1TMEM97
SCHEMBL10042120 0.94 RXRA (0.46) RXRANR4A2OPRM1
SCHEMBL401112 0.86 RXRA (0.48) RXRANR4A2OPRM1
SCHEMBL13885429 0.85 RXRA (0.47) RXRANR4A2OPRM1
SCHEMBL399111 0.85 RXRA (0.47) RXRANR4A2OPRM1
SCHEMBL1632009 0.82 RXRA (0.50) RXRANR4A2OPRM1
SCHEMBL15061049 0.81 RXRA (0.44) RXRANR4A2
SCHEMBL1629322 0.81 RXRA (0.41) RXRANR4A2OPRM1
SCHEMBL15061031 0.79 KMT2A (0.45) RXRANR4A2
SCHEMBL401821 0.78 RXRA (0.47) RXRANR4A2

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-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885OPRM1 103/4885

“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.