SCHEMBL24117329

SCHEMBL24117329

CCCCCCC1OC1CCCCCCCc1cccc(OP(=S)(Oc2cccc(CCCCCCCC3OC3CC3OC3CC3CO3)c2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.39
▸ PPARA Q07869 6/20 0.39
▸ PPARG P37231 5/20 0.39
▸ SPHK2 Q9NRA0 3/20 0.39
▸ SPHK1 Q9NYA1 2/20 0.39
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL24117325 0.96 ENPP2 (0.35) ENPP2PPARAPPARGSPHK2SPHK1
SCHEMBL24117320 0.91 PPARA (0.46) PPARAPPARGSPHK2SPHK1CNR1
SCHEMBL24117321 0.91 PPARA (0.46) PPARAPPARGSPHK2SPHK1CNR1
SCHEMBL24117322 0.88 ENPP2 (0.39) ENPP2PPARAPPARGSPHK2SPHK1
SCHEMBL24117323 0.86 MEN1 (0.32) MEN1KMT2A
SCHEMBL24117328 0.84 PPARA (0.43) PPARAPPARGSPHK2SPHK1CNR1
SCHEMBL24117324 0.80 PPARG (0.32) PPARAPPARGCNR1CNR2
SCHEMBL22610064 0.77 ALDH1A1 (0.51) ENPP2PPARAPPARGSPHK2SPHK1
SCHEMBL22632177 0.77 TP53 (0.51) ENPP2PPARAPPARGSPHK2SPHK1
SCHEMBL20803789 0.76 ALDH1A1 (0.48) ENPP2PPARAPPARGSPHK2SPHK1

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-20210395633-A1 Organophosphorus compound, and preparation process and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2021-12-23 — — 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-20210395633-A1 Organophosphorus compound, and preparation process and use thereof FEN1, PON1, GK ENPP2 1208/4885PPARA 190/4885PPARG 28/4885

“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.

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