SCHEMBL6537548

SCHEMBL6537548

CCCCCCCCCCCCCCCCCCOC(O)(CCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.52
CES1 P23141 1/20 0.42
FDPS P14324 8/20 0.42
GGPS1 O95749 5/20 0.42
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39

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
SCHEMBL3167747 0.82 SMPD1 (0.42) SMPD1CES1FDPSGGPS1MEN1
SCHEMBL8337452 0.82 SMPD1 (0.42) SMPD1CES1FDPSGGPS1MEN1
SCHEMBL27932896 0.82 SMPD1 (0.41) SMPD1CES1FDPSGGPS1HTT
SCHEMBL14359444 0.78 LPAR3 (0.41) SMPD1CES1FDPSGGPS1LPAR1
SCHEMBL30634500 0.78 CES1 (0.47) CES1MEN1THRBHTTKMT2A
SCHEMBL29435127 0.77 MEN1 (0.41) SMPD1CES1FDPSGGPS1MEN1
SCHEMBL8769729 0.76 CES1 (0.45) CES1MEN1THRBHTTKMT2A
SCHEMBL4582470 0.76 SMPD1 (0.55) SMPD1FDPSGGPS1THRB
SCHEMBL15308094 0.76 CES1 (0.45) CES1MEN1THRBHTTKMT2A
SCHEMBL7523594 0.76 SMPD1 (0.55) SMPD1FDPSGGPS1THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082549-A1 Use of organophosphorus compounds for the therapeutic and prophylactic treatment of infections JOMAA HASSAN (DE) 2004-04-29 US disclosed
US-6680308-B1 ADMINISTERING N-(FORMYL OR ACETYL)-N-HYDROXYLAMINO)-ALKYLPHOSPHONIC ACID DERIVATIVE AS VIRICIDE, PARASITICIDE OR FUNGICIDE BIOAGENCY AG (DE) 2004-01-20 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-20040082549-A1 Use of organophosphorus compounds for the therapeutic and prophylactic treatment of infections PON1, DDT, GPX1 SMPD1 47/4885CES1 20/4885FDPS 1232/4885

“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.