SCHEMBL1201623

SCHEMBL1201623

CCCC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
C5AR1 P21730 1/20 0.41
GPR88 Q9GZN0 7/20 0.40
FFAR1 O14842 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
CNR2 P34972 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
PDE4B Q07343 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1201792 0.92 AKR1C3 (0.40) APPFFAR1PTGDR2ACACBACACA
SCHEMBL1202689 0.91 APP (0.47) APPACACBACACACNR2PDE4B
SCHEMBL1202343 0.91 APP (0.49) APPPTGDR2CNR2
SCHEMBL1202952 0.91 APP (0.45) APPGPR88ACACBCNR2IKBKB
SCHEMBL1202425 0.91 APP (0.41) APPFFAR1ACACBACACA
SCHEMBL1203009 0.91 APP (0.44) APPGPR88PTGDR2ACACBACACA
SCHEMBL1202974 0.90 APP (0.43) APPGPR88PTGDR2PDE4B
SCHEMBL1202250 0.89 BRD4 (0.46) APPPTGDR2
SCHEMBL1201823 0.89 APP (0.55) APPC5AR1GPR88FFAR1PDCD1
SCHEMBL1203129 0.89 APP (0.39) APPGPR88FFAR1PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885C5AR1 4295/4885GPR88 1069/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885C5AR1 4295/4885GPR88 1069/4885

“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.