SCHEMBL19220599

SCHEMBL19220599

COC(=O)c1c(OCc2ccccc2)c(=O)c(C)cn1CC(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK8 P45983 1/20 0.38
PDE5A O76074 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NOTUM Q6P988 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL16437766 0.89 HPGD (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL19158598 0.89 HPGD (0.46) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL1357148 0.88 LMNA (0.45) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL10188516 0.85 HPGD (0.45) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL10188515 0.84 HPGD (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL1842254 0.83 ALDH1A1 (0.51) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL10188317 0.82 LMNA (0.42) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL12239928 0.80 LMNA (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL1358172 0.79 LMNA (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL18473879 0.79 HPGD (0.45) HPGDLMNAALDH1A1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 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-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 HPGD 924/4885LMNA 1344/4885ALDH1A1 1332/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 HPGD 924/4885LMNA 1344/4885ALDH1A1 1332/4885

“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.