Sugi Predict

Sugi Predict / Compounds / SCHEMBL1201958

SCHEMBL1201958

SCHEMBL1201958

CC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2ccccc2C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.47
▸ GPR88 Q9GZN0 3/20 0.39
▸ PDE4B Q07343 4/20 0.37
▸ ACACB O00763 2/20 0.37
▸ ACACA Q13085 2/20 0.37
▸ RXRA P19793 1/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ KEAP1 Q14145 2/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ USP1 O94782 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 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
SCHEMBL1203129 0.89 APP (0.39) APPGPR88PDE4BACACBACACA
SCHEMBL1203128 0.89 APP (0.38) APPGPR88PDE4BRXRAPDE4A
SCHEMBL1201823 0.87 APP (0.55) APPGPR88PDE4BACACBACACA
SCHEMBL1203130 0.81 APP (0.49) APPACACBACACAKEAP1NFE2L2
SCHEMBL8043364 0.80 APP (0.55) APPGPR88PDE4BPDE4APDE4C
SCHEMBL1202349 0.80 APP (0.59) APPACACBACACACNR2PTGER1
SCHEMBL1203171 0.80 APP (0.57) APPGPR88PDE4BACACBACACA
SCHEMBL1203233 0.80 APP (0.50) APPACACBACACAPDE4DFFAR1
SCHEMBL1202937 0.80 APP (0.54) APPGPR88PDE4BACACBACACA
SCHEMBL1203137 0.80 APP (0.58) APPPDE4BACACBACACAPDE4A

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 8 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
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 4/4885GPR88 1069/4885PDE4B 2041/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885GPR88 1069/4885PDE4B 2041/4885

“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.