SCHEMBL4987237

SCHEMBL4987237

O=C(O)CCP(=O)(O)CCc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.63
FFAR1 O14842 1/20 0.50
TSHR P16473 1/20 0.49
SLC13A5 Q86YT5 1/20 0.48
PDPK1 O15530 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SOX18 P35713 1/20 0.44
POLB P06746 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42

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
SCHEMBL14169761 0.92 CYP1A2 (0.68) CYP1A2FFAR1TSHRSLC13A5PDPK1
SCHEMBL4988266 0.87 CYP1A2 (0.56) CYP1A2FFAR1SLC13A5PDPK1CYP2D6
SCHEMBL2172375 0.82 TSHR (0.70) FFAR1TSHRCYP2D6HDAC1HDAC8
SCHEMBL5060436 0.82 CYP1A2 (0.52) CYP1A2
SCHEMBL4984455 0.81 SMN1; SMN2 (0.50) CYP1A2TSHRCYP2D6HDAC1HDAC8
SCHEMBL30403190 0.81 CYP1A2 (0.80) CYP1A2FFAR1SLC13A5PDPK1CYP2D6
SCHEMBL1217683 0.81 CYP1A2 (0.80) CYP1A2FFAR1SLC13A5PDPK1CYP2D6
Hydrochloric Acid SCHEMBL27401796 0.79 CYP1A2 (0.77) CYP1A2FFAR1SLC13A5PDPK1CYP2D6
SCHEMBL23881672 0.79 CYP1A2 (0.55) CYP1A2FFAR1SLC13A5PDPK1CYP2D6
SCHEMBL2318140 0.78 CYP1A2 (1.00) CYP1A2FFAR1SLC13A5PDPK1CYP2D6

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-20080146524-A1 Selective inhibitors of neurotensin degrading enzymes SOLVAY PHARMACEUTICALS B.V. 2008-06-19 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-20080146524-A1 Selective inhibitors of neurotensin degrading enzymes COMT, NTSR1, CMA1 CYP1A2 467/4885FFAR1 3075/4885TSHR 257/4885

“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.