SCHEMBL17826653

SCHEMBL17826653

CCc1cc2cc[nH]c2c(O)c1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
GRM5 P41594 6/20 0.36
DAO P14920 1/20 0.35
CA12 O43570 1/20 0.35
IKBKB O14920 3/20 0.33
CHUK O15111 3/20 0.33
HSD17B1 P14061 2/20 0.33
BCHE P06276 1/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 1/20 0.33
KEAP1 Q14145 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL21569598 0.87 PRKCI (0.39) PRKCIGRM5CA12CYP2D6SLC6A2
SCHEMBL12948358 0.81 CHEK1 (0.42) PRKCICA12HSD17B1
SCHEMBL15782870 0.75 PRKCI (0.37) PRKCICA12HSD17B1GABRA1GABRB2
SCHEMBL23735763 0.71 USP2 (0.41) GRM5DAOIKBKBCHUKBCHE
SCHEMBL15782860 0.71 CA12 (0.44) PRKCICA12
SCHEMBL15782879 0.71 SLC2A1 (0.36) PRKCI
SCHEMBL19841038 0.70 CHEK1 (0.43) PRKCICA12
SCHEMBL15782873 0.69 MEN1 (0.50) PRKCIDAOCA12GABRA1GABRB2
SCHEMBL15782861 0.69 KCNA3 (0.42) PRKCICA12
SCHEMBL22042243 0.68 PRKCI (0.36) PRKCICA12HSD17B1GABRA1GABRB2

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
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
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

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 PRKCI 2091/4885GRM5 4544/4885DAO 436/4885

“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.