SCHEMBL12853005

SCHEMBL12853005

CNc1ccc(OC)c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 7/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
CYP2C9 P11712 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3833657 0.86 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6107860 0.86 TDP1 (0.51) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL805216 0.86 POLB (0.51) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL12852698 0.85 MAPT (0.52) EGFRKMT2AMEN1KDM4ELMNA
SCHEMBL10605447 0.85 SMN1; SMN2 (0.48) EGFRKDM4ELMNAALDH1A1HPGD
SCHEMBL12852646 0.84 POLB (0.55) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL13973827 0.84 KMT2A (0.50) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL12041052 0.84 MEN1 (0.65) EGFRKMT2AMEN1KDM4ELMNA
SCHEMBL15541724 0.84 KDM4E (0.54) EGFRKMT2AMEN1KDM4ELMNA
SCHEMBL28927050 0.83 EGFR (0.52) EGFRKMT2AMEN1KDM4ELMNA

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-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 EGFR 2656/4885KMT2A 3453/4885MEN1 3788/4885

“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.