SCHEMBL14556361

SCHEMBL14556361

Oc1ccc(-c2nnn[nH]2)cc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
TTR P02766 2/20 0.37
CDK4 P11802 2/20 0.37
CCNA2 P20248 2/20 0.37
CCND1 P24385 2/20 0.37
CDK2 P24941 2/20 0.37
CCND3 P30281 2/20 0.37
KDR P35968 2/20 0.37
CHEK1 O14757 1/20 0.37
FGFR1 P11362 1/20 0.37
GUSB P08236 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
IDO1 P14902 1/20 0.35
PTPN1 P18031 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
SCHEMBL1250505 0.80 NOX1 (0.49) NOX1CYP1A1CYP1A2CYP1B1CDK4
SCHEMBL6502581 0.79 LTA4H (0.49)
SCHEMBL706418 0.78 DHODH (0.45)
SCHEMBL16720583 0.75 ALOX5 (0.46) CHEK1GUSBALOX15
SCHEMBL5607415 0.73 AR (0.40) PTPN1
SCHEMBL14556363 0.72 ALDH1A1 (0.45) NOX1CYP1A1CYP1A2CYP1B1FGFR1
SCHEMBL9135156 0.71 GAA (0.49) CYP1A2KDRCHEK1
SCHEMBL8217792 0.71 ESR2 (0.46)
SCHEMBL8219912 0.71 SNCA (0.31)
SCHEMBL10254355 0.71 ALOX15 (0.39) CDK2ALOX15ALOX12IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2007-03-08 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-20070054884-A1 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS CLPP, TYR, MRPL21 NOX1 987/4885CYP1A1 65/4885CYP1A2 173/4885

“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.