SCHEMBL16479215

SCHEMBL16479215

CCCOc1c(C)cccc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.51
SCN2A Q99250 3/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
SCN8A Q9UQD0 3/20 0.40
NLRP3 Q96P20 1/20 0.40
SCN4A P35499 3/20 0.37
LMNA P02545 2/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL27511682 0.89 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2GAASCN2A
SCHEMBL23817578 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2GAASCN2A
SCHEMBL73389 0.86 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2GAASCN2A
SCHEMBL11333666 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2GAASCN2A
SCHEMBL1991553 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ESCN2ASCN8ASCN4A
SCHEMBL15926506 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2GAASCN2A
Ammonia Solution, Strong SCHEMBL8858388 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ESCN2ASCN8ASCN4A
SCHEMBL27934690 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2GAASCN2A
SCHEMBL24823151 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2GAASCN2A
Hydrochloric Acid SCHEMBL28584097 0.79 LMNA (0.50) ALDH1A1KDM4ESCN2ASCN8ASCN4A

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
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 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-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 ALDH1A1 2015/4885KDM4E 4494/4885SMN1; SMN2 1952/4885

“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.