SCHEMBL1201592

SCHEMBL1201592

CSc1ccc(-c2ccc(C(CC(C)C)C(=O)O)cc2OCC2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.52
P2RX3 P56373 2/20 0.41
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CNR2 P34972 1/20 0.38
GPR88 Q9GZN0 1/20 0.37
FPR2 P25090 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
GRM2 Q14416 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
KMO O15229 2/20 0.36
CTSL P07711 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
SCHEMBL1202630 0.94 APP (0.53) APPP2RX3ACACBACACAPSEN1
SCHEMBL1202211 0.91 APP (0.42) APPP2RX3ACACBACACAPSEN1
SCHEMBL1202903 0.89 APP (0.42) APPP2RX3ACACBACACACNR2
SCHEMBL1203108 0.87 APP (0.56) APPACACBACACAPSEN1PSEN2
SCHEMBL1202892 0.87 APP (0.59) APPACACBACACAPSEN1PSEN2
SCHEMBL1201218 0.84 APP (0.72) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1202763 0.84 APP (0.58) APPACACBACACAPSEN1PSEN2
SCHEMBL1202372 0.83 APP (0.42) APPP2RX3ACACBACACAPSEN1
SCHEMBL1203206 0.83 PSEN1 (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1202280 0.83 APP (0.43) APPP2RX3ACACBACACACNR2

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 4/4885P2RX3 3184/4885ACACB 615/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885P2RX3 3184/4885ACACB 615/4885

“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.