SCHEMBL6557451

SCHEMBL6557451

O=C(Cl)C1=CC(CF)(CF)Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP2C9 P11712 1/20 0.31
CES2 O00748 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
PPARD Q03181 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7093856 0.88 PTGDR2 (0.33) PTGDR2PTGS1PTGS2CYP2C9CES2
SCHEMBL6270480 0.88 PTGS1 (0.38) PTGDR2PTGS1PTGS2CES2PIM1
SCHEMBL6557433 0.87 ALDH1A1 (0.33) PTGDR2PTGS1PTGS2CES2PIM1
SCHEMBL8312959 0.84 KDM4E (0.35) CYP2C9KDM4EALDH1A1
SCHEMBL7094132 0.84 CFTR (0.41) PTGDR2CYP2C9KDM4EALDH1A1HPGD
SCHEMBL7093857 0.83 CHRM1 (0.33) PTGDR2PTGS1PTGS2
SCHEMBL6268789 0.82 HIF1A (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7091070 0.80 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8897866 0.80 PTGS1 (0.37) PTGDR2PTGS1PTGS2CES2PIM1
SCHEMBL8315164 0.79 CTSL (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283207-B1 Process for producing benzopyran carboxamide CENTRAL GLASS CO LTD (JP) 2004-03-03 EP disclosed
US-6653488-B2 Reacting a 3-aminopropionitrile with benzophenonecarboxylic acid; amidation CENTRAL GLASS COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20030065197-A1 Process for producing benzopyran carboxamide CENTRAL GLASS COMPANY, LIMITED (JP) 2003-04-03 US disclosed
EP-1283207-A1 Process for producing benzopyran carboxamide Central Glass Company, Limited (JP) 2003-02-12 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-20030065197-A1 Process for producing benzopyran carboxamide NCDN, CTH, PFAS PTGDR2 3482/4885PTGS1 3018/4885PTGS2 2692/4885

“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.