SCHEMBL1630754

SCHEMBL1630754

Cc1ccc(C(=C2CCCCC2)c2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL1629224 0.98 OPRM1 (0.49) OPRM1OPRD1ALDH1A1ESR1PGR
SCHEMBL10042117 0.95 OPRM1 (0.49) OPRM1OPRD1ALDH1A1POLBLMNA
SCHEMBL1630713 0.88 CES2 (0.39) OPRM1OPRD1ALDH1A1ESR1PGR
SCHEMBL1629223 0.82 CES2 (0.39) OPRM1OPRD1ALDH1A1ESR1PGR
SCHEMBL1688030 0.78 ESR1 (0.49) OPRM1OPRD1ALDH1A1ESR1PGR
SCHEMBL1688048 0.76 OPRM1 (0.47) OPRM1OPRD1ALDH1A1ESR1MAPT
SCHEMBL400549 0.76 NPC1 (0.48) ESR1SLC6A2SLC6A3LMNACYP1A2
SCHEMBL10042127 0.74 NPC1 (0.49) OPRM1OPRD1SLC6A2SLC6A3LMNA
SCHEMBL19700438 0.73 ESR1 (0.50) ALDH1A1ESR1PGRCHRM2ADORA3
SCHEMBL9257091 0.71 OPRM1 (0.44) OPRM1OPRD1ALDH1A1CHRM2CHRM1

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 OPRM1 103/4885OPRD1 146/4885ALDH1A1 566/4885

“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.