SCHEMBL15782866

SCHEMBL15782866

CCc1c(C(C)=O)c(=O)[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.63
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TNKS O95271 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PARP1 P09874 1/20 0.49
GPR3 P46089 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
PARP15 Q460N3 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 2/20 0.47

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
SCHEMBL19841047 0.85 KDM4E (0.64) KDM4ETDP1ALDH1A1HPGDHTT
SCHEMBL14533466 0.80 RAB9A (0.60) KDM4EALDH1A1HPGDHTTRAB9A
SCHEMBL2284247 0.79 KDM4E (0.69) KDM4ETDP1ALDH1A1RAB9AMEN1
SCHEMBL19952775 0.79 KDM4E (0.69) KDM4ETDP1ALDH1A1HPGDRAB9A
SCHEMBL29612172 0.79 KDM4E (0.69) KDM4ETDP1ALDH1A1HPGDRAB9A
SCHEMBL7434293 0.78 KDM4E (0.71) KDM4ETDP1ALDH1A1HPGDHTT
SCHEMBL29950909 0.78 KDM4E (1.00) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL23468154 0.77 PDE9A (0.62) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL8042020 0.77 RAB9A (0.61) KDM4EALDH1A1HPGDHTTRAB9A
SCHEMBL7816823 0.76 KDM4E (0.65) KDM4ETDP1ALDH1A1HPGDHSD17B10

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
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 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-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 (3 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 KDM4E 800/4885TDP1 2470/4885ALDH1A1 4455/4885
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KDM4E 800/4885TDP1 2470/4885ALDH1A1 4455/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KDM4E 800/4885TDP1 2470/4885ALDH1A1 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.