SCHEMBL400549

SCHEMBL400549

Fc1ccccc1C(=C1CCCCC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
CASP3 P42574 2/20 0.48
RAB9A P51151 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAOB P27338 1/20 0.45
PARP10 Q53GL7 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL10042127 0.99 NPC1 (0.49) NPC1CASP3RAB9ASENP7SMN1; SMN2
SCHEMBL402574 0.92 RAB9A (0.46) NPC1CASP3RAB9ASENP7SMN1; SMN2
SCHEMBL401798 0.88 NR4A2 (0.46) NPC1CASP3RAB9ASENP7SMN1; SMN2
SCHEMBL4728319 0.83 LMNA (0.63) NPC1CASP3RAB9ASENP7NR4A2
SCHEMBL1688030 0.82 ESR1 (0.49) SMN1; SMN2LMNACYP1A2SLC6A2SLC6A3
SCHEMBL19700405 0.78 NR4A1 (0.50) NPC1CASP3RAB9ASENP7NR4A2
SCHEMBL400473 0.76 SRD5A2 (0.66) NPC1CASP3RAB9ASENP7SMN1; SMN2
SCHEMBL14672502 0.76 NPC1 (0.54) NPC1CASP3RAB9ASENP7SMN1; SMN2
SCHEMBL4727589 0.76 ESR1 (0.62) NPC1RAB9ALMNACYP1A2PTGS1
SCHEMBL1630754 0.76 OPRM1 (0.48) NPC1RAB9ASMN1; SMN2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200994-B1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARM INC (US) 2014-01-22 EP disclosed
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
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
EP-2200994-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-06-30 EP disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
WO-2009055734-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2009-04-30 WO 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 (2 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 NPC1 532/4885CASP3 4392/4885RAB9A 2743/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA NPC1 532/4885CASP3 4392/4885RAB9A 2743/4885

“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.