SCHEMBL15782870

SCHEMBL15782870

CCc1cc2[nH]ccc2c(O)c1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
KDM4E B2RXH2 2/20 0.34
HSD17B1 P14061 2/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
TYR P14679 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
P2RX7 Q99572 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL19841044 0.87 PRKCI (0.39) PRKCIKDM4ETYR
SCHEMBL17826653 0.75 PRKCI (0.37) PRKCIHSD17B1CA12GABRA1GABRB2
SCHEMBL12948358 0.72 CHEK1 (0.42) PRKCIHSD17B1CA12
SCHEMBL15782860 0.71 CA12 (0.44) PRKCIKDM4ECA12CA9
SCHEMBL21569591 0.70 ALDH1A1 (0.37) KDM4ETYRALOX15
SCHEMBL31265069 0.69 ALDH1A1 (0.41) KDM4EP2RX7
SCHEMBL4430691 0.69 TYR (0.48) KDM4ETYRRAB9AALOX15
SCHEMBL17826654 0.69 KCNA3 (0.51) PRKCIKDM4ECA12CA9
SCHEMBL16450052 0.67 AURKA (0.41) KDM4E
SCHEMBL15782877 0.67 KDM4E (0.38) PRKCIKDM4ECA12

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-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP 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 PRKCI 2091/4885KDM4E 800/4885HSD17B1 1662/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC PRKCI 2091/4885KDM4E 800/4885HSD17B1 1662/4885

“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.