SCHEMBL3098096

SCHEMBL3098096

NCc1cc(C=O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57
KDM4E B2RXH2 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 5/20 0.47
ALDH5A1 P51649 3/20 0.47
ABAT P80404 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
AOX1 Q06278 1/20 0.43
BACE1 P56817 1/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
AKR1C3 P42330 1/20 0.37
XDH P47989 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TTR P02766 1/20 0.36
PTGS1 P23219 1/20 0.36
LCK P06239 1/20 0.35

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
SCHEMBL29952824 1.00 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
Hydrochloric Acid SCHEMBL18281030 0.98 PTGS2 (0.55) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL29951708 0.84 KDM4E (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL7507833 0.83 KDM4E (0.61) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL5607630 0.82 PTGS2 (0.59) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL30225085 0.82 KDM4E (0.59) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL29954180 0.82 PTGS2 (0.59) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL4371754 0.82 KDM4E (0.59) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL29951702 0.80 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL9164890 0.80 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1ALDH5A1

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-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 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-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS KRT18, CRYAA, CKAP4 PTGS2 1596/4885KDM4E 1842/4885RAB9A 4753/4885

“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.