SCHEMBL4501041

SCHEMBL4501041

CN(CCOc1cccc(C(=O)O)c1)CCN(C)CCOc1cccc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
NR4A2 P43354 4/20 0.55
ESR1 P03372 2/20 0.54
PLA2G4B P0C869 1/20 0.54
NR1H4 Q96RI1 4/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6623073 0.89 KMT2A (0.69) KMT2ANR4A2ESR1PLA2G4BTHRA
Hydrochloric Acid SCHEMBL8702528 0.88 KMT2A (0.68) KMT2ANR4A2ESR1PLA2G4BTHRA
SCHEMBL4299737 0.84 KMT2A (0.70) KMT2ANR4A2ESR1PLA2G4BNR1H4
Hydrochloric Acid SCHEMBL8705220 0.84 ESR1 (0.66) KMT2AESR1PLA2G4BNR1H4THRA
SCHEMBL9803295 0.84 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL30167982 0.84 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL10787479 0.84 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL4509654 0.82 KMT2A (0.77) KMT2ANR4A2PLA2G4BNR1H4
SCHEMBL609434 0.81 KMT2A (1.00) KMT2ANR4A2PLA2G4BNR1H4ALDH1A1
SCHEMBL4511317 0.81 DRD2 (0.64) PLA2G4BALDH1A1

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-9120819-B2 FGF-receptor agonist dimeric compounds SANOFI (FR) 2015-09-01 US disclosed
US-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2009-03-12 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-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS FGF2, FGFR1, FGF1 KMT2A 3395/4885NR4A2 264/4885ESR1 293/4885

“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.