SCHEMBL17779181

SCHEMBL17779181

Nc1cc(C(=O)O)c(O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 2/20 0.54
THRB P10828 2/20 0.54
RECQL P46063 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
PTGS2 P35354 2/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 2/20 0.54
CASP7 P55210 2/20 0.54
TNF P01375 1/20 0.54
HSPD1 P10809 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP1 P29466 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDR P35968 1/20 0.54

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
SCHEMBL29214415 0.91 KDM4E (0.54) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL2138202 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL2193090 0.88 PPM1B (0.55) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL987442 0.87 IDO1 (0.62) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL24417899 0.86 IDO1 (0.52) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL30978804 0.86 KMT2A (0.54) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL3675267 0.86 KMT2A (0.54) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL30121151 0.86 KMT2A (0.54) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL7714364 0.86 KMT2A (0.54) ALDH1A1KDM4EMAPTKMT2ACYP3A4
SCHEMBL4395397 0.86 IDO1 (0.52) ALDH1A1KDM4EMAPTKMT2ACYP3A4

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 6 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-9724668-B2 Iron metal organic framework materials THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-08-08 US disclosed
US-20160346759-A1 Iron Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2016-12-01 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
CN-1023324-C Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1993-12-29 CN disclosed
CN-1035118-A A kind of method that forms polymer-scale that stops SHINETSU CHEMICAL CO (JP) 1989-08-30 CN 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 (2 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-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH ALDH1A1 3550/4885KDM4E 1350/4885MAPT 1020/4885
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 ALDH1A1 440/4885KDM4E 1417/4885MAPT 2197/4885

“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.