SCHEMBL15782813

SCHEMBL15782813

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRKCI P41743 1/20 0.44
THRB P10828 1/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B2 P37059 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 4/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL30788038 0.85 TDP1 (0.45) CYP3A4MAPK1RAB9AKDM4EHTT
SCHEMBL19840678 0.84 PRKCI (0.46) CYP3A4MAPK1USP2SMN1; SMN2PRKCI
SCHEMBL17826657 0.81 THRB (0.52) CYP3A4PRKCITHRBHSD17B10MEN1
SCHEMBL18598991 0.79 KDM4E (0.43) CYP3A4MAPK1USP2SMN1; SMN2RAB9A
SCHEMBL3193234 0.78 CYP3A4 (0.55) CYP3A4MAPK1USP2SMN1; SMN2PRKCI
SCHEMBL29429335 0.78 CYP3A4 (0.55) CYP3A4MAPK1USP2SMN1; SMN2PRKCI
SCHEMBL25328734 0.77 MAOB (0.43) CYP3A4MAPK1KDM4EHSD17B10MAPT
SCHEMBL14795733 0.77 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2THRB
SCHEMBL3302610 0.77 CYP3A4 (0.49) CYP3A4MAPK1USP2SMN1; SMN2THRB
SCHEMBL11118341 0.76 CETP (0.51) CYP3A4MAPK1KDM4EHSD17B10MAPT

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 5 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
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP 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 CYP3A4 1517/4885MAPK1 2095/4885USP2 3410/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CYP3A4 1517/4885MAPK1 2095/4885USP2 3410/4885

“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.