SCHEMBL401798

SCHEMBL401798

Fc1ccc(F)c(C(=C2CCCCC2)c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.46
NPC1 O15118 3/20 0.44
CASP3 P42574 3/20 0.44
RAB9A P51151 3/20 0.44
SENP7 Q9BQF6 3/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
PPARA Q07869 1/20 0.43
MAOB P27338 7/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
PARP10 Q53GL7 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL400549 0.88 NPC1 (0.48) NR4A2NPC1CASP3RAB9ASENP7
SCHEMBL10042127 0.87 NPC1 (0.49) NR4A2NPC1CASP3RAB9ASENP7
SCHEMBL402574 0.83 RAB9A (0.46) NR4A2NPC1CASP3RAB9ASENP7
SCHEMBL10071627 0.81 ESR1 (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4728319 0.79 LMNA (0.63) NR4A2NPC1CASP3RAB9ASENP7
SCHEMBL401103 0.78 SRD5A2 (0.59) NR4A2NPC1CASP3RAB9ASENP7
SCHEMBL1629223 0.75 CES2 (0.39) LMNAALDH1A1
SCHEMBL19700405 0.74 NR4A1 (0.50) NR4A2NPC1CASP3RAB9ASENP7
SCHEMBL4727589 0.72 ESR1 (0.62) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4337813 0.69 MEN1 (0.68) NR4A2RAB9AMAOBNR4A1NR4A3

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 7 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
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

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 NR4A2 94/4885NPC1 532/4885CASP3 4392/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA NR4A2 94/4885NPC1 532/4885CASP3 4392/4885

“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.