SCHEMBL6451827

SCHEMBL6451827

Nc1ccc(C(=O)OC(=O)c2ccc(N)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 6/20 0.57
MAPT P10636 5/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
CYP3A4 P08684 3/20 0.57
HSD17B10 Q99714 3/20 0.57
THRB P10828 2/20 0.57
RECQL P46063 2/20 0.57
GAA P10253 2/20 0.57
KDR P35968 2/20 0.57
POLB P06746 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
MCL1 Q07820 2/20 0.57
HPGD P15428 2/20 0.57
USP2 O75604 1/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57

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
SCHEMBL231377 0.85 ALDH1A1 (0.68) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL29364937 0.85 ALDH1A1 (0.68) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL9648251 0.85 GAA (0.66) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL28520448 0.83 ALDH1A1 (0.65) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL2809853 0.83 ALDH1A1 (0.65) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL2810654 0.83 ALDH1A1 (0.65) KDM4EALDH1A1TDP1MAPTKMT2A
Nitrogen SCHEMBL28683357 0.81 ALDH1A1 (0.63) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL5069247 0.81 CYP3A4 (0.46) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL1403646 0.80 TSHR (0.55) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL11039453 0.79 KDM4E (0.61) KDM4EALDH1A1TDP1MAPTKMT2A

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-6927302-B2 Process for the arylation of olefins BAYER AKTIENGESELLSCHAFT (DE) 2005-08-09 US disclosed
US-20030050500-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-03-13 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-20030050500-A1 Process for the arylation of olefins AOC2, NOX1, AOC3 KDM4E 2206/4885ALDH1A1 102/4885TDP1 1571/4885

“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.