SCHEMBL4180769

SCHEMBL4180769

COC(=O)C(C(=O)O)(C(=O)O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 4/20 0.37
SRC P12931 1/20 0.37
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TP53 P04637 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
SCHEMBL8096308 0.83 DGAT1 (0.46) KCNN4DGAT1ALDH1A1SRCTSHR
SCHEMBL18868424 0.75 ALDH1A1 (0.44) KCNN4DGAT1ALDH1A1SRCTSHR
SCHEMBL28117259 0.73 ALDH1A1 (0.40) KCNN4DGAT1ALDH1A1SRCTSHR
SCHEMBL1010735 0.73 DGAT1 (0.56) KCNN4DGAT1ALDH1A1SRCTSHR
SCHEMBL2097450 0.73 DGAT1 (0.44) KCNN4DGAT1ALDH1A1SRCTSHR
Pivalate SCHEMBL29716693 0.73 DGAT1 (0.44) KCNN4DGAT1ALDH1A1SRCTSHR
SCHEMBL20090047 0.71 TSHR (0.31) TSHR
Hydrochloric Acid SCHEMBL10829675 0.71 DGAT1 (0.54) KCNN4DGAT1ALDH1A1SRCTSHR
SCHEMBL21393608 0.71 KCNN4 (0.38) KCNN4DGAT1ALDH1A1SRCTSHR
SCHEMBL4070809 0.71 ALDH1A1 (0.45) KCNN4DGAT1ALDH1A1SRCTSHR

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-20180107114-A1 PHOTOSENSITIVE RESIN COMPOSITION, POLYAMIDE RESIN, METHOD FOR PRODUCING POLYAMIDE RESIN, COMPOUND, METHOD FOR PRODUCING COMPOUND, METHOD FOR PRODUCING CURED FILM, AND CURED FILM TOKYO OHKA KOGYO CO LTD (JP) 2018-04-19 US disclosed
US-20090142809-A1 Method for Cleaving Cervimycin Monoesters LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFE (DE) 2009-06-04 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-20180107114-A1 PHOTOSENSITIVE RESIN COMPOSITION, POLYAMIDE RESIN, METHOD FOR PRODUCING POLYAMIDE RESIN, COMPOUND, METHOD FOR PRODUCING COMPOUND, METHOD FOR PRODUCING CURED FILM, AND CURED FILM RARA, LCP1, CUTA KCNN4 4144/4885DGAT1 552/4885ALDH1A1 1996/4885

“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.