SCHEMBL10188515

SCHEMBL10188515

C=CCn1cc(C)c(=O)c(OCc2ccccc2)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
PTPN1 P18031 1/20 0.37
MAPK8 P45983 1/20 0.37
TK1 P04183 1/20 0.36
NOTUM Q6P988 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
NPC1 O15118 1/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL10188516 0.90 HPGD (0.45) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL10188517 0.90 SMN1; SMN2 (0.40) HPGDLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL19334681 0.89 LMNA (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL23615837 0.86 HPGD (0.42) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL19220599 0.84 HPGD (0.46) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL12993194 0.84 HPGD (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL16437766 0.83 HPGD (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL12239938 0.82 HTT (0.50) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL82448 0.81 LMNA (0.51) HPGDLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL10188317 0.80 LMNA (0.42) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2016-12-22 US disclosed
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
US-9469638-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2016-10-18 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 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 (8 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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HPGD 681/4885LMNA 1238/4885ALDH1A1 1564/4885
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 HPGD 1768/4885LMNA 1678/4885ALDH1A1 1937/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 HPGD 1534/4885LMNA 1705/4885ALDH1A1 1813/4885
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 HPGD 91/4885LMNA 472/4885ALDH1A1 2038/4885
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 HPGD 102/4885LMNA 472/4885ALDH1A1 2121/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 HPGD 1534/4885LMNA 1705/4885ALDH1A1 1813/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HPGD 681/4885LMNA 1238/4885ALDH1A1 1564/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 HPGD 102/4885LMNA 472/4885ALDH1A1 2121/4885

“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.