SCHEMBL6030726

SCHEMBL6030726

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.47
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PELI1 Q96FA3 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ MAOA P21397 3/20 0.37
▸ MAOB P27338 3/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL3894458 1.00 APP (0.47) APPPOLBPKMKDRPELI1
SCHEMBL3560696 0.86 IAPP (0.51) APPPOLBPKMCYP1A2CYP1A1
SCHEMBL3560692 0.86 IAPP (0.51) APPPOLBPKMCYP1A2CYP1A1
SCHEMBL6030457 0.82 APP (0.55) APPPOLBPKMKDM4EKMT2A
SCHEMBL6030455 0.82 APP (0.55) APPPOLBPKMKDM4EKMT2A
SCHEMBL5579317 0.80 KDM4E (0.51) POLBPELI1CYP1A2BACE1KDM4E
SCHEMBL29470166 0.79 KDR (0.51) APPPOLBPKMKDRPELI1
SCHEMBL6029975 0.78 P4HB (0.44) APPPOLBPKMKDRPELI1
SCHEMBL3890018 0.78 P4HB (0.44) APPPOLBPKMKDRPELI1
SCHEMBL18551799 0.76 ABCG2 (0.70) CYP1A2CYP1A1CYP1B1CYP3A4CYP2D6

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 APP 4380/4885POLB 592/4885PKM 4056/4885

“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.

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