SCHEMBL15782860

SCHEMBL15782860

CCc1cc2ccccc2c(O)c1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
PRKCI P41743 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 3/20 0.41
NSD2 O96028 1/20 0.41
MCL1 Q07820 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL588920 0.86 PRKCI (0.44) CA12CA9MAPTME2ME1
SCHEMBL2941699 0.81 MAPT (0.49) CA12CA9ALDH1A1HPGDMAPT
SCHEMBL1833919 0.80 CASP6 (0.49) ME2ME1ME3MEN1KMT2A
SCHEMBL11224026 0.79 POLB (0.51) CA12CA9ALDH1A1HPGDMAPT
SCHEMBL15782877 0.78 KDM4E (0.38) CA12PRKCIKDM4EPOLBHTT
SCHEMBL12972497 0.78 ME2 (0.62) ALDH1A1HPGDME2ME1ME3
SCHEMBL15782873 0.78 MEN1 (0.50) CA12CA9ALDH1A1HPGDMAPT
SCHEMBL3957770 0.77 POLB (0.44) ME2ME1ME3MEN1KMT2A
SCHEMBL10337667 0.77 TRPM4 (0.44) ME2ME1ME3MEN1KMT2A
SCHEMBL6858134 0.77 MEN1 (0.42) ALDH1A1HPGDMAPTME2ME1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US 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 (4 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-11192866-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC CA12 4122/4885CA9 3443/4885ALDH1A1 4455/4885
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CA12 4122/4885CA9 3443/4885ALDH1A1 4455/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CA12 4122/4885CA9 3443/4885ALDH1A1 4455/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC CA12 4122/4885CA9 3443/4885ALDH1A1 4455/4885

“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.