SCHEMBL5348545

SCHEMBL5348545

CCCOC(=O)C1(C#N)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
DPP4 P27487 2/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 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
SCHEMBL5357320 0.91 LMNA (0.44) ALDH1A1LMNATSHRCYP2C19POLB
SCHEMBL1972216 0.87 TSHR (0.40) ALDH1A1LMNATSHRCYP2C19POLB
SCHEMBL5361035 0.79 TSHR (0.33) ALDH1A1TSHRDPP4
SCHEMBL5354688 0.78 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP2C19POLB
SCHEMBL1192865 0.78 CYP3A4 (0.42) LMNACYP2C19DPP4
SCHEMBL16865193 0.77
SCHEMBL23960242 0.74 DPP4 (0.33) LMNADPP4
SCHEMBL5352202 0.73 LMNA (0.31) LMNATSHRCYP2C19DPP4
SCHEMBL1973582 0.73 USP2 (0.39) LMNACYP2C19SMN1; SMN2
SCHEMBL5354715 0.73 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP2C19POLB

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 ALDH1A1 39/4885LMNA 4534/4885TSHR 1342/4885

“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.