SCHEMBL2945800

SCHEMBL2945800

Cn1ccc2ccc(/C=C/C(=O)O)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.61
PLA2G4A P47712 1/20 0.52
GPR183 P32249 1/20 0.49
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 3/20 0.47
BACE1 P56817 3/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA3 P07451 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 3/20 0.47
CA5A P35218 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA5B Q9Y2D0 3/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47

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
SCHEMBL2945804 1.00 CYP2A6 (0.61) CYP2A6PLA2G4AGPR183KDM4EHSD17B10
SCHEMBL8359930 0.88 PLA2G4A (0.63) CYP2A6PLA2G4AKDM4EHSD17B10MAPK1
SCHEMBL17003793 0.81 BACE1 (0.55) CYP2A6GPR183KDM4EHSD17B10MAPK1
SCHEMBL16485301 0.81 BACE1 (0.55) CYP2A6GPR183KDM4EHSD17B10MAPK1
SCHEMBL2134313 0.80 TTR (0.57) CYP2A6GPR183BACE1CA12CA1
SCHEMBL1125855 0.76 CYP2A6 (1.00) CYP2A6GPR183KDM4EALDH1A1HPGD
SCHEMBL2137986 0.76 ESR1 (0.57) PLA2G4AKDM4EHSD17B10MAPK1BACE1
SCHEMBL2137990 0.76 ESR1 (0.57) PLA2G4AKDM4EHSD17B10MAPK1BACE1
SCHEMBL16831652 0.76 TUBB4A (0.51) PLA2G4AKDM4EHSD17B10MAPK1BACE1
SCHEMBL16831650 0.76 TUBB4A (0.51) PLA2G4AKDM4EHSD17B10MAPK1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 WO disclosed
US-4948796-A TREATING CEREBO-VASCULARE DISEASES TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-14 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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CYP2A6 2006/4885PLA2G4A 3261/4885GPR183 1648/4885

“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.