SCHEMBL17826657

SCHEMBL17826657

CCc1c(O)ccc(O)c1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
PRKCI P41743 1/20 0.52
CA9 Q16790 2/20 0.42
HSD17B1 P14061 1/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
EP300 Q09472 2/20 0.39
CREBBP Q92793 2/20 0.39
BRD9 Q9H8M2 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL12948216 0.83 PRKCI (0.62) THRBPRKCICA9MEN1CYP3A4
SCHEMBL15782815 0.81 PRKCI (0.44) THRBPRKCICA9HSD17B1MEN1
SCHEMBL15782813 0.81 CYP3A4 (0.45) THRBPRKCICA9MEN1CYP3A4
SCHEMBL19840689 0.80 PRKCI (0.54) THRBPRKCICA9MEN1HPGD
SCHEMBL6451162 0.78 THRB (0.70) THRBPRKCICA9MEN1CYP3A4
SCHEMBL28490315 0.78 CA12 (0.59) CA9MEN1CYP3A4HPGDKMT2A
SCHEMBL3185583 0.77 PRKCI (0.76) THRBPRKCICA9HSD17B1MEN1
SCHEMBL13978665 0.76 THRB (0.45) THRBPRKCICA9MEN1CYP3A4
SCHEMBL30026897 0.75 TRPA1 (0.48) HPGDHSD17B10ESR1ESR2TRPA1
SCHEMBL858277 0.75 TRPA1 (0.48) HPGDHSD17B10ESR1ESR2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 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-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC THRB 135/4885PRKCI 2091/4885CA9 3443/4885

“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.