SCHEMBL13868032

SCHEMBL13868032

CCC(C)(CC)c1ccoc1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALOX5 P09917 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL802241 0.77 KDM4E (0.38) LMNAALOX5KDM4EHPGDALDH1A1
SCHEMBL547888 0.73 ALOX5 (0.40) LMNAALOX5KDM4EHPGDPOLB
SCHEMBL29085531 0.72 KDM4E (0.36) LMNAALOX5KDM4EHPGDTSHR
SCHEMBL19718161 0.70 SMN1; SMN2 (0.38) LMNAALOX5KDM4EHPGDHTT
SCHEMBL21720663 0.67 ESR1 (0.31)
SCHEMBL21718814 0.67 ESR1 (0.31)
SCHEMBL21720549 0.67 ESR1 (0.31)
SCHEMBL11097223 0.67 ALOX5 (0.39) LMNAALOX5KDM4EHPGDCYP2C19
SCHEMBL11818445 0.64 HPGD (0.38) LMNAALOX5KDM4EHPGDALDH1A1
SCHEMBL24499191 0.64 MAPT (0.32) LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 US disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 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-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides PFAS, CYP4F2, FPGS LMNA 1673/4885ALOX5 848/4885KDM4E 883/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS LMNA 2270/4885ALOX5 1487/4885KDM4E 942/4885

“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.