SCHEMBL2525180

SCHEMBL2525180

CCOC(=O)C1(NC(=O)C(C)c2ccc(Cl)cc2C)CCC(OC)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL4501238 0.94 ALDH1A1 (0.35) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3732991 0.85 ALDH1A1 (0.32) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2947754 0.84 KMT2A (0.33) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL728293 0.84 ALDH1A1 (0.34) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL6290176 0.84 MEN1 (0.35) NPSR1ALDH1A1KMT2AMEN1POLB
SCHEMBL2525179 0.77 P2RX7 (0.32) NPSR1KMT2AMEN1POLBMAPK1
SCHEMBL1153522 0.75 MEN1 (0.39) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7958362 0.75 CXCR5 (0.39) ALDH1A1TSHR
SCHEMBL2071170 0.74 CYP2C19 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL2433660 0.73 TSHR (0.36) KMT2AMEN1MAPTSMN1; SMN2TDP1

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-8039014-B2 3′-alkoxyspirocyclopentyl-substituted tetramic and tetronic acids BAYER CROPSCIENCE AG (DE) 2011-10-18 US disclosed
US-20100004127-A1 3'-ALKOXYSPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2010-01-07 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-20100004127-A1 3'-ALKOXYSPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS TPI1, PPA1, PTPRG NPSR1 2833/4885ALDH1A1 4189/4885KMT2A 3773/4885

“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.