SCHEMBL12427178

SCHEMBL12427178

CCN(CC)c1ccc2ccccc2c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ WDR5 P61964 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PLK1 P53350 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL6027676 0.85 ELANE (0.46) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL5535163 0.83 PTPN1 (0.47) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2892213 0.83 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2714269 0.81 KDM4E (0.53) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL12425988 0.79 KMT2A (0.38) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL14322033 0.77 TP53 (0.42) MEN1KMT2AALDH1A1GLANPC1
SCHEMBL7170202 0.76 WDR5 (0.53) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL897607 0.76 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL10904256 0.76 PTPN22 (0.48) KDM4ELDHAMAPT
SCHEMBL13466142 0.75 PLK1 (0.35) MEN1KMT2AKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011101599-A1 METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY AROMATIC NUCLEOPHILIC SUBSTITUTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-08-25 — — WO 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 MEN1 223/4885KMT2A 650/4885KDM4E 847/4885

“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.

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