SCHEMBL15782818

SCHEMBL15782818

CCc1ccoc(=O)c1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PRKCI P41743 1/20 0.36
HSD17B1 P14061 1/20 0.35
KCNA3 P22001 6/20 0.35
CA9 Q16790 2/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL19840675 0.84 CA12 (0.42) CA12PRKCIKCNA3CA9
SCHEMBL22202362 0.83 PPARA (0.45) CA12KDM4EPRKCICA9
SCHEMBL24376271 0.76 KDM4E (0.55) CA12KDM4EMAPK1PRKCIKCNA3
SCHEMBL27833204 0.74 LMNA (0.42) KDM4EMAPK1KCNA3
SCHEMBL28594543 0.74 GABRA1 (0.48) KDM4EMAPK1ALOX5
SCHEMBL14205876 0.74 KMT2A (0.40) CA12KDM4EMAPK1HSD17B1ALOX5
SCHEMBL15782811 0.72 CA12 (0.39) CA12KDM4EKCNA3CA9
SCHEMBL12188715 0.71 KDM4E (0.39) KDM4EMAPK1CA9ALOX5
SCHEMBL16382260 0.71 KDM4E (0.54) KDM4EMAPK1CA9ALOX5
SCHEMBL16414537 0.70 GABRA1 (0.54) CA12PRKCIHSD17B1CA9

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 4 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
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 CA12 4122/4885KDM4E 800/4885MAPK1 2095/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CA12 4122/4885KDM4E 800/4885MAPK1 2095/4885

“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.