SCHEMBL13360724

SCHEMBL13360724

O=CC1CC(=O)OC12CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
CASP6 P55212 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 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
SCHEMBL12203799 0.72 MAPK1 (0.49) MAPK1TSHRCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3197862 0.69 ALDH1A1 (0.40) TSHRCYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL2805733 0.65 TSHR (0.58) MAPK1TSHRCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3966355 0.65 SMN1; SMN2 (0.46) MAPK1TSHRCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL10535225 0.63 MAPK1 (0.37) MAPK1TSHRCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL25121396 0.61 MAPK1 (0.60) MAPK1TSHRCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL10533754 0.59 CYP2C9 (0.41) MAPK1TSHRCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL15719821 0.58
SCHEMBL13292098 0.58 TSHR (0.36) MAPK1TSHRCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL17995472 0.57 TSHR (0.43) MAPK1TSHRCYP2C9MAPTLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113330-A1 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-05-06 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-20100113330-A1 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR84 MAPK1 3752/4885TSHR 812/4885CYP2C9 1116/4885

“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.