SCHEMBL6029975

SCHEMBL6029975

N#Cc1cc(C=CC(N)=O)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.44
APP P05067 2/20 0.41
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KDR P35968 1/20 0.39
PELI1 Q96FA3 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
SCN9A Q15858 4/20 0.38
CYP1A2 P05177 1/20 0.37
AR P10275 3/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL3890018 1.00 P4HB (0.44) P4HBAPPPOLBPKMKDR
SCHEMBL6031435 0.82 APP (0.50) P4HBAPPPOLBPKM
SCHEMBL6031437 0.82 APP (0.50) P4HBAPPPOLBPKM
SCHEMBL8154678 0.82 PELI1 (0.44) PELI1SLC22A12CYP1A2
SCHEMBL8154684 0.82 PELI1 (0.44) PELI1SLC22A12CYP1A2
SCHEMBL17574580 0.79 RXRA (0.41) P4HBSLC22A12SCN9AARRXRA
SCHEMBL6030726 0.78 APP (0.47) APPPOLBPKMKDRPELI1
SCHEMBL3894458 0.78 APP (0.47) APPPOLBPKMKDRPELI1
SCHEMBL31173121 0.77 KIF11 (0.47) SLC22A12AR
SCHEMBL16682648 0.77 KIF11 (0.47) SLC22A12AR

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-7102046-B2 By reaction of haloaromatics or arylsulfonates with olefins in presence of palladium catalyst, bulky nitrogen base and salt BAYER AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20030105353-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-05 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-20030105353-A1 Process for the arylation of olefins NEK6, JUN, AOC2 P4HB 1062/4885APP 4380/4885POLB 592/4885

“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.