SCHEMBL5352202

SCHEMBL5352202

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
DPP4 P27487 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 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
SCHEMBL1192865 0.80 CYP3A4 (0.42) LMNADPP4CYP3A4CYP2C9PKM
SCHEMBL5361035 0.79 TSHR (0.33) DPP4TSHR
SCHEMBL24421368 0.77 LMNA (0.33) LMNADPP4
SCHEMBL1972216 0.76 TSHR (0.40) LMNACYP3A4CYP2C9PKMCYP2C19
SCHEMBL1973582 0.76 USP2 (0.39) LMNACYP3A4CYP2C9PKMCYP2C19
SCHEMBL5357532 0.76 TSHR (0.36) CYP3A4CYP2C9PKMCYP2C19TSHR
SCHEMBL12436912 0.74 LMNA (0.36) LMNADPP4
SCHEMBL5348545 0.73 ALDH1A1 (0.36) LMNADPP4CYP2C19TSHR
SCHEMBL5360437 0.72 LMNA (0.34) LMNADPP4CYP3A4CYP2C9PKM
SCHEMBL5348681 0.71 ALDH1A1 (0.36) TSHR

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 LMNA 4534/4885DPP4 1881/4885CYP3A4 6/4885

“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.