SCHEMBL1509989

SCHEMBL1509989

COOCc1ccc(C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
MAPK14 Q16539 4/20 0.34
ACHE P22303 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
RORC P51449 1/20 0.33
MAOB P27338 1/20 0.33
P2RX7 Q99572 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL12121014 0.84 IDO1 (0.42) IDO1AGXTKDM5AKDM4CKDM5B
Ammonia Solution, Strong SCHEMBL28443748 0.82 IDO1 (0.41) IDO1AGXTKDM5AKDM4CKDM5B
SCHEMBL3083666 0.80 IDO1 (0.42) IDO1AGXTKDM5AKDM4CKDM5B
SCHEMBL16706451 0.78 IDO1 (0.38) IDO1AGXTKDM5AKDM4CKDM5B
SCHEMBL13172532 0.77 IDO1 (0.37) IDO1AGXTKDM5AKDM4CKDM5B
SCHEMBL12936610 0.76 IDO1 (0.39) IDO1AGXTKDM5AKDM4CKDM5B
SCHEMBL18213791 0.76 RORC (0.40) IDO1AGXTKDM5AKDM4CKDM5B
SCHEMBL18590775 0.74 TAAR1 (0.45) ACHETAAR1P2RX7
SCHEMBL13932536 0.74 AMY1A (0.42) IDO1AGXTKDM4CACHETAAR1
SCHEMBL13172290 0.73 MAPK14 (0.40) IDO1AGXTKDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 EP 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 IDO1 2102/4885AGXT 3466/4885KDM5A 2506/4885

“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.