SCHEMBL21569596

SCHEMBL21569596

CCCCc1c(C(C)=O)c(O)cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.46
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PRKCI P41743 1/20 0.41
SLC37A4 O43826 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.39
GPR35 Q9HC97 1/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.39
TRPM4 Q8TD43 1/20 0.39
EYA3 Q99504 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL28860671 0.89 SLC37A4 (0.51) NCEH1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL15782878 0.85 TRPM4 (0.47) NCEH1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL7107682 0.83 KAT8 (0.51) HPGDALDH1A1KDM4EHSD17B10SLC37A4
SCHEMBL10684176 0.83 KAT8 (0.51) HPGDALDH1A1KDM4EHSD17B10SLC37A4
SCHEMBL22042250 0.82 NCEH1 (0.43) NCEH1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL10976271 0.82 HPGD (0.50) NCEH1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL30689889 0.82 HPGD (0.50) NCEH1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL11024895 0.80 NCEH1 (0.45) NCEH1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL6545326 0.80 HPGD (0.47) NCEH1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL19841040 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EPRKCISLC37A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 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-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC NCEH1 3000/4885HPGD 3373/4885ALDH1A1 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.