SCHEMBL6427170

SCHEMBL6427170

OCC(CI)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
CYP1A2 P05177 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL5161982 0.86 TRPA1 (0.58) TRPA1CYP1A2EPHX1TSHRALPI
SCHEMBL13721525 0.86 TRPA1 (0.58) TRPA1CYP1A2EPHX1TSHRALPI
SCHEMBL29822049 0.78 TRPA1 (0.50) TRPA1CYP1A2EPHX1TSHRALPI
SCHEMBL353179 0.78 TRPA1 (0.50) TRPA1CYP1A2EPHX1TSHRALPI
SCHEMBL28573244 0.78 TRPA1 (0.50) TRPA1CYP1A2EPHX1TSHRALDH1A1
SCHEMBL28443386 0.78 ANPEP (0.52) TRPA1CYP1A2EPHX1TSHRALDH1A1
SCHEMBL2604925 0.78 TRPA1 (0.55) TRPA1CYP1A2EPHX1TSHRSLC6A2
SCHEMBL345523 0.78 TRPA1 (0.55) TRPA1CYP1A2EPHX1TSHRSLC6A2
SCHEMBL7906029 0.78 TRPA1 (0.50) TRPA1CYP1A2EPHX1TSHRALPI
SCHEMBL5689338 0.78 TRPA1 (0.50) TRPA1CYP1A2EPHX1TSHRALPI

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-20050143593-A1 Process for producing 2-aralkylpropionic acid derivative KANEKA CORPORATION (JP) 2005-06-30 US disclosed
EP-1466895-A1 PROCESS FOR PRODUCING 2-ARALKYLPROPIONIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2004-10-13 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-20050143593-A1 Process for producing 2-aralkylpropionic acid derivative AASDHPPT, ADSL, HACL2 TRPA1 828/4885CYP1A2 1178/4885EPHX1 2213/4885

“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.