SCHEMBL15782815

SCHEMBL15782815

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
THRB P10828 1/20 0.42
EP300 Q09472 2/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CA9 Q16790 3/20 0.39
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B1 P14061 1/20 0.36
ESR1 P03372 1/20 0.36
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRPF1 P55201 1/20 0.33

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
SCHEMBL22043209 0.84 PRKCI (0.46) PRKCITHRBEP300KAT2BKAT8
SCHEMBL17826657 0.81 THRB (0.52) PRKCITHRBEP300CA9HSD17B1
SCHEMBL15782813 0.72 CYP3A4 (0.45) PRKCITHRBCA9GAATSHR
SCHEMBL12948216 0.71 PRKCI (0.62) PRKCITHRBEP300KAT2BKAT8
SCHEMBL16416941 0.70 EP300 (0.38) EP300KAT2BKAT8GAAESR1
SCHEMBL6451162 0.70 THRB (0.70) PRKCITHRBCA9GAAMEN1
SCHEMBL3185583 0.68 PRKCI (0.76) PRKCITHRBCA9HSD17B1ESR1
SCHEMBL129735 0.68 MAPT (0.40) EP300KAT2BKAT8CA9GAA
SCHEMBL19840689 0.68 PRKCI (0.54) PRKCITHRBEP300KAT2BKAT8
SCHEMBL2586587 0.68 ALDH1A1 (0.42) GAATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 EP disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
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
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC PRKCI 2091/4885THRB 135/4885EP300 971/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC PRKCI 2091/4885THRB 135/4885EP300 971/4885

“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.