SCHEMBL17779267

SCHEMBL17779267

Nc1cc(C(=O)O)c(O)cc1OCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
TNF P01375 1/20 0.41
HSPD1 P10809 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
KDR P35968 1/20 0.41
BRCA1 P38398 1/20 0.41
RECQL P46063 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL17774729 0.77 HTT (0.52) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL28283580 0.77 PTPN11 (0.50) ALDH1A1CYP3A4MAPTMEN1HPGD
SCHEMBL18269486 0.75 ALDH1A1 (0.42) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL9063391 0.74 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1MAPTTDP1
SCHEMBL2138202 0.73 ALDH1A1 (0.56) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL17779181 0.72 ALDH1A1 (0.54) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL30978804 0.72 KMT2A (0.54) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL7714364 0.72 KMT2A (0.54) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL479071 0.71 ALDH1A1 (0.62) PTGDR2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL13597570 0.71 MEN1 (0.48) PTGDR2KDM4EALDH1A1MAPTTDP1

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-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR PTGDR2 3214/4885KDM4E 1417/4885ALDH1A1 440/4885

“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.