SCHEMBL5613479

SCHEMBL5613479

CCCOC(=O)C(C)(I)CC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CHRM1 P11229 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM3 P20309 1/20 0.30

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
SCHEMBL5613175 0.88 ALDH1A1 (0.48) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL5613419 0.82 HCAR2 (0.39) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL5613181 0.82 CYP4F2 (0.42) ALDH1A1LMNATSHRGAAHSD17B10
SCHEMBL18772396 0.80 CHRM2 (0.47) ALDH1A1CHRM1GAASMN1; SMN2CHRM2
SCHEMBL19480413 0.79 — —
SCHEMBL18845146 0.77 POLB (0.31) —
SCHEMBL1105061 0.77 HCAR2 (0.39) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL685430 0.77 HCAR2 (0.39) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL6062638 0.77 HCAR2 (0.41) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL204763 0.77 POLB (0.44) HCAR2ALDH1A1LMNACHRM1TSHR

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-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 — — US disclosed
CN-101024659-A Transition metal compound, polymerization initiator system including same and polymer production method SUMITOMO CHEMICAL CO (JP) 2007-08-29 — — CN 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-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer CARM1, CPN1, CCNT1 HCAR2 1367/4885ALDH1A1 1585/4885LMNA 1478/4885

“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.

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