SCHEMBL1201792

SCHEMBL1201792

CCCC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2cccc(C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
APP P05067 2/20 0.40
FFAR1 O14842 2/20 0.37
PPARD Q03181 1/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
MDM2 Q00987 1/20 0.36
CHRM3 P20309 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CTSA P10619 1/20 0.35
SYK P43405 1/20 0.35
PTGS2 P35354 1/20 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
SCHEMBL1201623 0.92 APP (0.44) APPFFAR1ACACBACACAPTGDR2
SCHEMBL1202425 0.90 APP (0.41) AKR1C3AKR1C2APPFFAR1PPARD
SCHEMBL1203130 0.90 APP (0.49) AKR1C3AKR1C2APPFFAR1PPARD
SCHEMBL1202655 0.87 AKR1C3 (0.51) AKR1C3AKR1C2APPPTGDR2PTGS2
SCHEMBL1202343 0.85 APP (0.49) APPPTGDR2
SCHEMBL1202689 0.85 APP (0.47) AKR1C3AKR1C2APPACACBACACA
SCHEMBL1202952 0.85 APP (0.45) AKR1C3AKR1C2APPKEAP1NFE2L2
SCHEMBL1203009 0.84 APP (0.44) AKR1C3AKR1C2APPACACBACACA
SCHEMBL1202974 0.84 APP (0.43) APPPTGDR2
SCHEMBL1202250 0.83 BRD4 (0.46) APPPTGDR2PTGS2

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 AKR1C3 3717/4885AKR1C2 3410/4885APP 4/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 AKR1C3 3717/4885AKR1C2 3410/4885APP 4/4885

“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.