SCHEMBL4994828

SCHEMBL4994828

O=C(O)CCP(=O)(O)Cc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.61
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.48
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
CMA1 P23946 1/20 0.45
CTNNB1 P35222 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MTNR1A P48039 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC12A2 P55011 1/20 0.40
SLC12A5 Q9H2X9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4989844 0.87 TDP1 (0.53) ACP3TDP1TSHRCYP1A2FFAR1
SCHEMBL6037860 0.84 ACP3 (0.50) ACP3TDP1
SCHEMBL4988577 0.81 TSHR (0.57) ACP3TSHRCYP1A2KMT2AKDM4E
SCHEMBL5060011 0.80 GRM3 (0.54) ACP3
SCHEMBL340395 0.80 TSHR (0.62) TSHRCYP1A2FFAR1ALDH1A1
SCHEMBL31587574 0.77 ACP3 (1.00) ACP3TDP1CYP1A2CTNNB1MTNR1A
SCHEMBL233333 0.77 ACP3 (1.00) ACP3TDP1CYP1A2CTNNB1MTNR1A
SCHEMBL3942725 0.76 TDP1 (0.46) ACP3TDP1CYP1A2FFAR1AKR1B1
SCHEMBL30567524 0.76 TDP1 (0.46) ACP3TDP1CYP1A2FFAR1AKR1B1
SCHEMBL23881752 0.76 ACP3 (0.54) ACP3TDP1CYP1A2FFAR1AKR1B1

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 ACP3 1607/4885TDP1 506/4885TSHR 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.