SCHEMBL8526601

SCHEMBL8526601

CC(C)(C)c1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.59
LDHA P00338 1/20 0.58
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
CDC25B P30305 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CYP1B1 Q16678 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CYP1A1 P04798 2/20 0.42
SOS1 Q07889 1/20 0.42

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
SCHEMBL21302081 0.84 WDR5 (0.44) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL27782225 0.83 WDR5 (0.53) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL4311547 0.82 WDR5 (0.59) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL7191298 0.80 WDR5 (0.49) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL9838388 0.78 GPR35 (0.58) LDHANR4A1NR4A2NR4A3CDC25B
SCHEMBL4942021 0.78 CYP1A2 (0.50) ALDH1A1HPGDKDM4ECSNK2A1GLA
SCHEMBL28852457 0.77 RXFP1 (0.48) NR4A1ALDH1A1HPGDKDM4ELMNA
SCHEMBL11808779 0.77 PTGS2 (0.39) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL11808774 0.77 PTGS2 (0.39) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL248146 0.76 WDR5 (0.66) WDR5LDHANR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102958892-A Method for preparing chemical compounds of interest by aromatic nucleophilic substitution CENTRE NAT RECH SCIENT 2013-03-06 CN disclosed
US-20120316337-A1 METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP UNIVERSITE DU MAINE (FR) 2012-12-13 US disclosed
US-20120316337-A1 METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP UNIVERSITE DU MAINE (FR) 2012-12-13 US disclosed
US-20120316337-A1 METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP UNIVERSITE DU MAINE (FR) 2012-12-13 US disclosed
US-5753407-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-19 US disclosed
EP-0249139-B2 Resist compositions and use MICROSI INC (US) 1998-03-11 EP disclosed
US-5585217-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-17 US disclosed
US-5362607-A Photo-patternable in absence of moisture; treating substrate with positive resist composition, baking, irradiating resist in patterned way, heating, developing; resist of water-soluble phenolic resin, tertiary butyl compound, aryl onium salt MICROSI, INC. (US) 1994-11-08 US disclosed
US-5310619-A Resist compositions comprising a phenolic resin, an acid forming onium salt and a tert-butyl ester or tert-butyl carbonate which is acid-cleavable MICROSI, INC. (US) 1994-05-10 US disclosed
EP-0249139-A2 Resist compositions and use MicroSi, Inc. (a Delaware corporation) (US) 1987-12-16 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-20120316337-A1 METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP COMT, NAA15, NUDC WDR5 3436/4885LDHA 2726/4885NR4A1 775/4885

“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.