SCHEMBL13763492

SCHEMBL13763492

CC(C)(C)c1ccc(C(=O)O)cc1OCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMO O15229 2/20 0.45

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
SCHEMBL13763495 0.87 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL23195558 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL3930808 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL14200213 0.82 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2POLBHTT
SCHEMBL4490687 0.81 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL2426365 0.80 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL14228228 0.80 CYP2D6 (0.50) KDM4EALDH1A1SMN1; SMN2POLBHTT
SCHEMBL29944824 0.80 ALDH1A1 (0.71) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL18707215 0.80 KDR (0.55) KDM4EALDH1A1SMN1; SMN2GAAPOLB
Hydrochloric Acid SCHEMBL25311845 0.79 ALDH1A1 (0.69) KDM4EALDH1A1SMN1; SMN2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 — — US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 — — 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 (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-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 KDM4E 4112/4885ALDH1A1 1821/4885SMN1; SMN2 2392/4885

“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.

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