SCHEMBL13678759

SCHEMBL13678759

C=C1C[C@H](C(=O)O)[C@@H](C)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GABRR1 P24046 1/20 0.32

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
SCHEMBL1030623 0.83 GABRR1 (0.39) ALDH1A1LMNAPOLBGABRR1
SCHEMBL8413192 0.83 GABRR1 (0.39) ALDH1A1LMNAPOLBGABRR1
SCHEMBL1030281 0.83 GABRR1 (0.39) ALDH1A1LMNAPOLBGABRR1
SCHEMBL1030622 0.83 GABRR1 (0.39) ALDH1A1LMNAPOLBGABRR1
SCHEMBL17756079 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13678758 0.75 EPHX1 (0.31)
SCHEMBL7273731 0.74 POLB (0.39) ALDH1A1LMNAPOLBGABRR1
SCHEMBL7280473 0.74 POLB (0.39) ALDH1A1LMNAPOLBGABRR1
SCHEMBL1933031 0.74 POLB (0.39) ALDH1A1LMNAPOLBGABRR1
SCHEMBL7325402 0.74 POLB (0.39) ALDH1A1LMNAPOLBGABRR1

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US 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 (2 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-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI ALDH1A1 1180/4885LMNA 1057/4885POLB 3769/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 ALDH1A1 560/4885LMNA 4195/4885POLB 3827/4885

“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.