SCHEMBL13853045

SCHEMBL13853045

Cc1ccc(C2(c3ccccc3)CCCC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRL1 P41146 4/20 0.41
OPRK1 P41145 3/20 0.41
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1B1 P15121 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
OPRD1 P41143 2/20 0.35
ADAM17 P78536 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1C1 Q04828 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3666780 0.89 MEN1 (0.47) OPRM1OPRL1OPRK1MEN1CYP2C9
SCHEMBL1944655 0.83 MEN1 (0.45) OPRM1OPRK1MEN1CYP2C9KMT2A
SCHEMBL15656775 0.82 HDAC4 (0.44) MEN1CYP2C9KMT2AAKR1C1SIGMAR1
SCHEMBL15659683 0.82 HDAC4 (0.44) MEN1CYP2C9KMT2AAKR1C1SIGMAR1
SCHEMBL10042118 0.82 AKR1B1 (0.38) OPRM1OPRK1CYP2C9AKR1B1LMNA
SCHEMBL12893199 0.78 OPRM1 (0.50) OPRM1OPRL1KMT2AALDH1A1
SCHEMBL1631912 0.77 HDAC4 (0.41) OPRM1OPRK1CYP2C9ALDH1A1LMNA
SCHEMBL11489569 0.77 MEN1 (0.50) OPRM1OPRL1OPRK1MEN1CYP2C9
SCHEMBL1629725 0.76 HDAC4 (0.40) OPRM1OPRK1CYP2C9ALDH1A1LMNA
SCHEMBL29883511 0.75 MEN1 (0.48) OPRM1OPRL1OPRK1MEN1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 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-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA OPRM1 103/4885OPRL1 60/4885OPRK1 59/4885

“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.