SCHEMBL5361035

SCHEMBL5361035

CC(C)COC(=O)C1(C#N)CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
DPP4 P27487 1/20 0.32
HTT P42858 1/20 0.31
CTSS P25774 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL1972216 0.82 TSHR (0.40) TSHRALDH1A1
SCHEMBL5348545 0.79 ALDH1A1 (0.36) TSHRDPP4ALDH1A1
SCHEMBL5352202 0.79 LMNA (0.31) TSHRDPP4
SCHEMBL5347511 0.78 TSHR (0.37) TSHRHTTALDH1A1
SCHEMBL5357320 0.77 LMNA (0.44) TSHRDPP4HTTALDH1A1
SCHEMBL1192865 0.76 CYP3A4 (0.42) DPP4
SCHEMBL5352037 0.74 HTT (0.34) TSHRHTTALDH1A1
SCHEMBL24421368 0.73 LMNA (0.33) DPP4ALDH1A1
SCHEMBL1973582 0.72 USP2 (0.39) CTSS
SCHEMBL3598055 0.72 CYP3A4 (0.33) TSHRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300953-B2 Process for preparing nitrile compound, carboxylic acid compound or carboxylic acid ester compound UBE INDUSTRIES, LTD (JP) 2007-11-27 US disclosed
US-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran UBE INDUSTRIES, LTD. (JP) 2006-12-21 US disclosed
EP-1671937-A1 METHOD FOR PRODUCING NITRILE COMPOUND, CARBOXYLIC ACID COMPOUND OR CARBOXYLATE COMPOUND Ube Industries, Ltd. (JP) 2006-06-21 EP 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-20060287541-A1 Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran CBR1, ALDH18A1, ME1 TSHR 1342/4885DPP4 1881/4885HTT 3556/4885

“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.