SCHEMBL4989844

SCHEMBL4989844

O=C(O)CCP(=O)(O)CCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ACP3 P15309 1/20 0.51
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
CYP1A2 P05177 2/20 0.47
MTNR1A P48039 2/20 0.46
FFAR4 Q5NUL3 1/20 0.44
CMA1 P23946 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
MCL1 Q07820 2/20 0.43
CTNNB1 P35222 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4994828 0.87 ACP3 (0.61) TDP1ACP3FFAR1AKR1B1CYP1A2
SCHEMBL5053304 0.82 GRM3 (0.51)
SCHEMBL4988468 0.81 CDYL (0.52) ACP3CYP1A2MTNR1AKMT2ATSHR
SCHEMBL30307853 0.81 TDP1 (0.67) TDP1FFAR1AKR1B1CYP1A2MTNR1A
SCHEMBL1218835 0.81 TDP1 (0.67) TDP1FFAR1AKR1B1CYP1A2MTNR1A
SCHEMBL27811913 0.79 ACP3 (0.68) TDP1ACP3CYP1A2MTNR1AGPR84
Hydrochloric Acid SCHEMBL11319694 0.79 TDP1 (0.65) TDP1FFAR1AKR1B1CYP1A2MTNR1A
SCHEMBL23881887 0.79 TDP1 (0.46) TDP1ACP3FFAR1AKR1B1CYP1A2
SCHEMBL2314388 0.78 MEN1 (0.66) TDP1FFAR1AKR1B1CYP1A2MTNR1A
SCHEMBL5054516 0.77 ACP3 (0.46) TDP1ACP3CYP1A2MTNR1ACMA1

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 TDP1 506/4885ACP3 1607/4885FFAR1 3075/4885

“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.