SCHEMBL8040510

SCHEMBL8040510

O=CCc1ccc(-c2ccc(C(F)(F)F)cc2)c(OCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PLA2G7 Q13093 1/20 0.38
PTGS2 P35354 1/20 0.38
PTPN1 P18031 2/20 0.37
BACE1 P56817 1/20 0.36
SSTR5 P35346 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL12891259 0.85 APP (0.44) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL4592375 0.78 ALDH1A1 (0.41) RXRARXRBRXRGAPPKIF11
SCHEMBL1201898 0.77 PSEN1 (0.49) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL12891257 0.76 APP (0.41) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL12891041 0.76 ALDH1A1 (0.54) RXRABACE1APPKMT2AALOX5AP
SCHEMBL12891047 0.76 ALDH1A1 (0.39) APPKMT2A
SCHEMBL12891341 0.75 AKR1C3 (0.49) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL2267819 0.74 KIF11 (0.55) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL12891043 0.73 ALDH1A1 (0.37) APPKMT2A
SCHEMBL2964571 0.72 SSTR5 (0.50) RXRARXRBRXRGPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 RXRA 2002/4885RXRB 1474/4885RXRG 1441/4885

“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.