SCHEMBL5236202

SCHEMBL5236202

CCCCOc1c(C(=O)OCC)n(CC(C)(C)C)c(=O)c2cc(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ELANE P08246 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5238841 0.96 PTGDR2 (0.37) KDM4ELMNAALDH1A1ELANEPTGER4
SCHEMBL5233933 0.90 ALDH1A1 (0.40) KDM4ELMNAALDH1A1PTGER4HTT
SCHEMBL5237316 0.89 PTGER4 (0.37) KDM4EALDH1A1PTGER4PTGDR2HPGD
SCHEMBL5238698 0.88 RORA (0.41) KDM4ELMNAPTGDR2ADORA3
SCHEMBL5232986 0.86 KDM4E (0.46) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5234385 0.86 GABRA1 (0.36) PTGER4PTGDR2
SCHEMBL5231548 0.86 ALDH1A1 (0.40) KDM4ELMNAALDH1A1ELANEPTGER4
SCHEMBL5238926 0.85 KDM4E (0.41) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5239284 0.85 ESR1 (0.38) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5232796 0.85 PTGDR2 (0.39) KDM4EALDH1A1PTGER4PTGDR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 KDM4E 897/4885LMNA 1764/4885ALDH1A1 387/4885
US-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR KDM4E 2749/4885LMNA 4805/4885ALDH1A1 2961/4885

“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.