SCHEMBL4349574

SCHEMBL4349574

CCNc1c(C)cccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
CXCR2 P25025 1/20 0.45
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.40
SCN3A Q9NY46 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
SCN1A P35498 2/20 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
SCHEMBL27520237 0.87 IDO1 (0.45) TRPA1ATMCYP3A4TSHRRECQL
SCHEMBL1827736 0.84 CYP3A4 (0.43) CYP3A4TSHRRECQLMAPTMAPK1
Bromide SCHEMBL1827609 0.82 CYP3A4 (0.42) CYP3A4TSHRRECQLMAPTMAPK1
SCHEMBL6884457 0.81 TRPA1 (0.41) TRPA1ATMCXCR2MAPTMAPK1
SCHEMBL1953525 0.79 IDO1 (0.48) CYP3A4TSHRRECQLMAPTMAPK1
SCHEMBL8762491 0.77 CYP3A4 (0.47) ATMCYP3A4TSHRRECQLMAPT
SCHEMBL10814735 0.76 TRPA1 (0.52) TRPA1ATMCYP3A4TSHRRECQL
SCHEMBL11663327 0.75 MAPK14 (0.49) CYP3A4TSHRRECQLMAPTGAA
SCHEMBL13497804 0.75 CD44 (0.46) CYP3A4TSHRRECQLMAPTMAPK1
SCHEMBL11662307 0.75 ALDH1A1 (0.44) CYP3A4TSHRRECQLMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
US-20090036437-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENOXAZINIUM COMPOUND AS AN ACTIVE INGREDIENT JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-02-05 US disclosed
EP-1852119-A1 PHARMACEUTICAL COMPOSITION CONTAINING PHENOXAZINIUM COMPOUND AS ACTIVE INGREDIENT Japan Science and Technology Agency (JP) 2007-11-07 EP disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed
US-4670451-A Benzoxazolone-2 compounds and fungicidal use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1987-06-02 US disclosed
US-4353916-A Benzothiazol-2-ones and phytopathogenic fungicidal use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1982-10-12 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-20090036437-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENOXAZINIUM COMPOUND AS AN ACTIVE INGREDIENT CYP3A5, IL5, HDAC5 TRPA1 606/4885ATM 4829/4885CYP3A4 41/4885

“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.