SCHEMBL19574690

SCHEMBL19574690

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)c1ccnc(CNCC=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KDM5B Q9UGL1 2/20 0.44
▸ TLR2 O60603 2/20 0.44
▸ LPAR3 Q9UBY5 6/20 0.41
▸ ENPP2 Q13822 3/20 0.41
▸ LPAR1 Q92633 3/20 0.41
▸ LPAR2 Q9HBW0 2/20 0.41
▸ PRKCA P17252 2/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM5A P29375 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ NAPEPLD Q6IQ20 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
SCHEMBL19676362 0.86 ALDH1A1 (0.53) ALDH1A1LMNATLR2LPAR3ENPP2
SCHEMBL15636559 0.82 KDM5B (0.66) ALDH1A1LMNAKDM5BTLR2KDM5A
SCHEMBL19676405 0.81 KDM5B (0.47) ALDH1A1LMNAKDM5BTLR2LPAR3
SCHEMBL19676437 0.80 KDM5B (0.61) ALDH1A1LMNAKDM5BTLR2KDM5A
SCHEMBL15636393 0.77 KDM5B (0.67) ALDH1A1LMNAKDM5BTLR2KDM5A
SCHEMBL16925985 0.77 KDM5B (0.61) ALDH1A1LMNAKDM5BTLR2KDM5A
SCHEMBL18708527 0.77 KDM5B (0.58) ALDH1A1LMNAKDM5BTLR2KDM5A
SCHEMBL16291763 0.76 KDM5B (0.47) ALDH1A1LMNAKDM5BTLR2LPAR3
SCHEMBL19676377 0.75 KDM5B (0.63) ALDH1A1LMNAKDM5BTLR2KDM5A
SCHEMBL449242 0.72 ALDH1A1 (0.64) ALDH1A1LMNATLR2LPAR3ENPP2

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-10221139-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-03-05 — — US disclosed
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — 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 (2 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-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 ALDH1A1 744/4885LMNA 2406/4885KDM5B 34/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 ALDH1A1 744/4885LMNA 2406/4885KDM5B 34/4885

“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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