SCHEMBL3314760

SCHEMBL3314760

CCN(CCCNC)CCOC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
PAOX Q6QHF9 1/20 0.33
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30

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
SCHEMBL25075476 0.92 EPHX1 (0.33) EPHX1USP2ALDH1A1KDM4EPAOX
SCHEMBL25075480 0.90 ALDH1A1 (0.37) EPHX1USP2ALDH1A1KDM4EPAOX
SCHEMBL3318180 0.88 PRMT3 (0.37) GAAMEN1POLBKMT2APRMT3
SCHEMBL21540184 0.86 EPHX1 (0.37) EPHX1ALDH1A1KDM4EGLAGAA
SCHEMBL18912766 0.85 EPHX1 (0.43) EPHX1USP2ALDH1A1PAOXGAA
SCHEMBL14996455 0.82
SCHEMBL21540252 0.81 MEN1 (0.35) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL26207 0.80 PAOX (0.44) EPHX1USP2ALDH1A1PAOXGAA
SCHEMBL2760168 0.80 KMT2A (0.41) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL13138853 0.79 CYP1A2 (0.35) ALDH1A1PAOXHPGDHSD17B10MEN1

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 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 (2 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-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 EPHX1 4350/4885USP2 3628/4885ALDH1A1 2490/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD EPHX1 3284/4885USP2 3124/4885ALDH1A1 474/4885

“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.