SCHEMBL7796592

SCHEMBL7796592

CCCCON[C@H](C(=O)OP(=O)(O)Cl)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 3/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.31
LPAR3 Q9UBY5 4/20 0.31
LPAR1 Q92633 3/20 0.31
LPAR2 Q9HBW0 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LPAR6 P43657 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
ENPP2 Q13822 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL9814820 0.91 MAPT (0.31) MAPTHSD17B10
SCHEMBL12477192 0.85 ALDH1A1 (0.34) MAPTHSD17B10PPARGALDH1A1ATM
SCHEMBL28457433 0.80 LPAR3 (0.40) LPAR3LPAR1LPAR2LPAR5S1PR2
SCHEMBL7771222 0.78 PPARG (0.40) PPARGPPARA
SCHEMBL10004949 0.77 CA12 (0.35) SMN1; SMN2
SCHEMBL12477586 0.76
SCHEMBL28453626 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21052575 0.69 MMP1 (0.31)
SCHEMBL17818353 0.69 MMP1 (0.31)
SCHEMBL4271904 0.68 S1PR2 (0.40) S1PR2S1PR1S1PR3

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-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 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-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP MAPT 2954/4885HSD17B10 4349/4885PPARG 2806/4885

“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.