SCHEMBL5613175

SCHEMBL5613175

CCCCOC(=O)C(C)(I)CC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ ATM Q13315 1/20 0.45
▸ TSHR P16473 5/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ESR1 P03372 3/20 0.39
▸ EPHX1 P07099 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ RNASEL Q05823 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACHE P22303 6/20 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
SCHEMBL5613479 0.88 HCAR2 (0.36) ALDH1A1ATMTSHRHCAR2TDP1
SCHEMBL5613418 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL110464 0.79 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL126843 0.79 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5613181 0.79 CYP4F2 (0.42) ALDH1A1TSHRLMNACYP1A2
SCHEMBL6058509 0.79 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL25688323 0.78 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAESR1
SCHEMBL25688329 0.78 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAESR1
SCHEMBL25688316 0.78 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAESR1
SCHEMBL18898222 0.78 — —

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 ALDH1A1 1585/4885ATM 2940/4885TSHR 4291/4885

“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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