SCHEMBL3825484

SCHEMBL3825484

CC(CCP(=O)(O)CCC(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.49
GRM6 O15303 1/20 0.49
GRM7 Q14831 1/20 0.49
GRM4 Q14833 1/20 0.49
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RIPK1 Q13546 1/20 0.41

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
SCHEMBL3822594 0.83 SMN1; SMN2 (0.52) ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL27790851 0.80 TAAR1 (0.50) ALDH1A1RIPK1
SCHEMBL27811910 0.80 FOLH1 (0.44) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL10042378 0.79 RIPK1 (0.52) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL242853 0.79 RIPK1 (0.52) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL8673121 0.79 RIPK1 (0.52) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
Hydrochloric Acid SCHEMBL5743278 0.78 RIPK1 (0.50) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
Phosphoric Acid SCHEMBL27969322 0.76 RIPK1 (0.48) ALDH1A1RIPK1
SCHEMBL1716157 0.76 CYSLTR2 (0.50) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL1373545 0.76 GRM3 (0.54)

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
EP-2094720-A1 SELECTIVE INHIBITORS OF NEUROTENSIN DEGRADING ENZYMES Solvay Pharmaceuticals B.V. (NL) 2009-09-02 EP disclosed
US-20080146524-A1 Selective inhibitors of neurotensin degrading enzymes SOLVAY PHARMACEUTICALS B.V. 2008-06-19 US disclosed
WO-2008071738-A1 SELECTIVE INHIBITORS OF NEUROTENSIN DEGRADING ENZYMES SOLVAY PHARMACEUTICALS B.V. (NL) 2008-06-19 WO 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-20080146524-A1 Selective inhibitors of neurotensin degrading enzymes COMT, NTSR1, CMA1 GRM8 2398/4885GRM6 1535/4885GRM7 1902/4885

“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.