SCHEMBL4873527

SCHEMBL4873527

Cc1c(O)cccc1O.Cc1c(O)cccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.72
ATM Q13315 1/20 0.72
CA2 P00918 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
ALOX15 P16050 4/20 0.53
HSD17B10 Q99714 4/20 0.53
CA1 P00915 4/20 0.53
LMNA P02545 3/20 0.53
RECQL P46063 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
EGFR P00533 2/20 0.53
FYN P06241 2/20 0.53
MMP9 P14780 2/20 0.53
ADAMTS4 O75173 1/20 0.53
MMP2 P08253 1/20 0.53
MMP8 P22894 1/20 0.53
CA6 P23280 1/20 0.53
CDK2 P24941 1/20 0.53
MMP12 P39900 1/20 0.53

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
SCHEMBL33721 1.00
SCHEMBL30632314 0.97 TRPA1 (0.68) TRPA1ATMCA2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7792394 0.97 TRPA1 (0.68) TRPA1ATMCA2ALDH1A1HPGD
Potassium SCHEMBL30632313 0.97 TRPA1 (0.68) TRPA1ATMCA2ALDH1A1HPGD
SCHEMBL29085428 0.97 TRPA1 (0.68) TRPA1ATMCA2ALDH1A1HPGD
Formaldehyde SCHEMBL9393871 0.91 TRPA1 (0.62) TRPA1ATMCA2ALDH1A1HPGD
Hydroquinone SCHEMBL9285995 0.91 TRPA1 (0.62) TRPA1ATMCA2ALDH1A1HPGD
SCHEMBL7069723 0.88 TRPA1 (0.59) TRPA1ATMCA2ALDH1A1HPGD
Acetone SCHEMBL10878896 0.88 TRPA1 (0.59) TRPA1ATMCA2ALDH1A1HPGD
Resorcinol SCHEMBL8159309 0.86 ALDH1A1 (0.63) TRPA1ATMCA2ALDH1A1HPGD

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-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 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-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 TRPA1 2860/4885ATM 4714/4885CA2 1913/4885

“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.