SCHEMBL23372140

SCHEMBL23372140

C=CC(C)c1cc(F)ccc1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
ALOX5 P09917 1/20 0.31
ACHE P22303 2/20 0.30
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL16951479 0.82 PTGS1 (0.32) POLBPTGS1PTGS2ALOX5ACHE
SCHEMBL27643701 0.81 PSEN1 (0.35) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL16952125 0.78 PSEN1 (0.34) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL800711 0.77 HRH4 (0.40) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL27885774 0.74 PSEN1 (0.34) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL24006637 0.74 MEN1 (0.41) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL16629395 0.74 MEN1 (0.41) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL12869835 0.74 MEN1 (0.41) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8508123 0.73 POLB (0.35) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL25123901 0.73 ALDH1A1 (0.36)

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
WO-2021096948-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-20 WO disclosed
US-20160375005-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS INC (US) 2016-12-29 US 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-20160375005-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 POLB 2082/4885PSEN1 2901/4885PSEN2 1328/4885

“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.