Sugi Predict

Sugi Predict / Compounds / SCHEMBL1201823

SCHEMBL1201823

SCHEMBL1201823

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.55
▸ C5AR1 P21730 1/20 0.44
▸ GPR88 Q9GZN0 3/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ PDCD1 Q15116 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ ACACB O00763 2/20 0.39
▸ ACACA Q13085 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL1203130 0.91 APP (0.49) APPC5AR1FFAR1PTGDR2ACACB
SCHEMBL1202349 0.90 APP (0.59) APPPTGDR2CNR2ACACBACACA
SCHEMBL8043364 0.90 APP (0.55) APPGPR88CNR2PDE4BBRD4
SCHEMBL1203171 0.90 APP (0.57) APPGPR88CNR2ACACBACACA
SCHEMBL1203233 0.90 APP (0.50) APPFFAR1ACACBACACABRD4
SCHEMBL1201622 0.89 APP (0.45) APPC5AR1GPR88FFAR1PDCD1
SCHEMBL1202937 0.89 APP (0.54) APPGPR88FFAR1PTGDR2ACACB
SCHEMBL1202630 0.89 APP (0.53) APPC5AR1GPR88CNR2ACACB
SCHEMBL1202857 0.89 APP (0.53) APPGPR88PTGDR2BRD4
SCHEMBL1201623 0.89 APP (0.44) APPC5AR1GPR88FFAR1PDCD1

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
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 — — US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 — — US disclosed
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
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
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.