SCHEMBL8346016

SCHEMBL8346016

CCc1ccc(P(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL150534 0.78 TP53 (0.48) LPLLIPGALDH1A1TP53SMN1; SMN2
Methyl Alcohol SCHEMBL27728601 0.76 LPL (0.60) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL9818511 0.76 ESR1 (0.32)
SCHEMBL36295 0.76 TP53 (0.67) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL2154600 0.74 ALDH1A1 (0.44) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL2154440 0.74 TP53 (0.43) LPLLIPGALDH1A1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL5430697 0.74 TP53 (0.43) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL11312850 0.74 ALDH1A1 (0.44) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL14390729 0.74 ABAT (0.52) TAAR1CA2
SCHEMBL9290913 0.74 TP53 (0.43) LPLLIPGALDH1A1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960392-B2 Nitrogen-containing heterocyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-14 US disclosed
US-20100029690-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-04 US disclosed
EP-0487343-B1 Process for preparing a lithographic plate FUJI PHOTO FILM CO LTD (JP) 1999-04-28 EP disclosed
US-5861107-A ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0487343-A1 Process for preparing a lithographic plate Fuji Photo Film Co., Ltd. (JP) 1992-05-27 EP disclosed
EP-0036278-B1 POLYPHENYLENE ETHER RESIN COMPOSITION OF IMPROVED HEAT STABILITY AND SHAPED ARTICLES THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-06-19 EP disclosed
EP-0036278-A1 Polyphenylene ether resin composition of improved heat stability and shaped articles thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-09-23 EP 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-20100029690-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PTGER1, PTGS1, PTGER2 LPL 4629/4885LIPG 4293/4885ALDH1A1 164/4885

“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.