SCHEMBL18152142

SCHEMBL18152142

Cc1c(O)cccc1OC(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX12 P18054 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
TSHR P16473 1/20 0.39
CA9 Q16790 4/20 0.37
CA12 O43570 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37

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
SCHEMBL7487004 0.83 HPGD (0.56) TRPA1TP53MAPTALDH1A1LMNA
SCHEMBL516150 0.82 MAPT (0.44) TRPA1ATMMAPTALDH1A1LMNA
SCHEMBL2352949 0.81 CA2 (0.54) ATMTP53MAPTALDH1A1LMNA
SCHEMBL5336049 0.79 TRPA1 (0.41) TRPA1ATMTP53MAPTALDH1A1
SCHEMBL27353008 0.77 CA1 (0.40) TRPA1ATMTP53MAPTALDH1A1
SCHEMBL12476734 0.76 TRPA1 (0.61) TRPA1ATMTP53MAPTALDH1A1
SCHEMBL27296339 0.75 F9 (0.46) TRPA1ATMTP53MAPTALDH1A1
SCHEMBL2962387 0.75 KMT2A (0.47) TP53ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL11012886 0.75 KMT2A (0.47) TP53ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL27647162 0.74 KDM4E (0.49) MAPTALDH1A1LMNAHPGDKDM4E

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-9980893-B2 Dye composition comprising a 1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-amine compound L'OREAL (FR) 2018-05-29 US disclosed
US-20160303018-A1 DYE COMPOSITION COMPRISING A 1,2,3,4-TETRAHYDROPYRIDO[2,3-B]PYRAZIN-7-AMINE COMPOUND L'OREAL (FR) 2016-10-20 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-20160303018-A1 DYE COMPOSITION COMPRISING A 1,2,3,4-TETRAHYDROPYRIDO[2,3-B]PYRAZIN-7-AMINE COMPOUND CBR3, AOC3, NOX3 TRPA1 574/4885ATM 4339/4885TP53 3496/4885

“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.