SCHEMBL21523064

SCHEMBL21523064

CC(C)C(C)(C(=O)NC[CH]c1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 1/20 0.36
RIPK1 Q13546 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7453149 0.76 NFKB1 (0.46) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL21523086 0.72 BCAT2 (0.57) SMN1; SMN2NPC1RAB9ARIPK1MEN1
SCHEMBL21523085 0.72 BCAT2 (0.57) SMN1; SMN2NPC1RAB9ARIPK1MEN1
SCHEMBL5821712 0.71 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL5892429 0.71 BCAT2 (0.46) EGFRGAAPOLBALDH1A1KMT2A
Hydrochloric Acid SCHEMBL21523037 0.70 GBA1 (0.41) GAARIPK1CNR1CNR2ALDH1A1
SCHEMBL2160510 0.70 MTNR1A (0.66) NPC1RAB9AGAAPOLBCYP2C19
Hydrochloric Acid SCHEMBL21523038 0.70 GBA1 (0.41) GAARIPK1CNR1CNR2ALDH1A1
SCHEMBL2159775 0.70 MTNR1A (0.60) SMN1; SMN2NPC1RAB9AGAAPOLB
SCHEMBL9665775 0.69 GAA (0.59) SMN1; SMN2NPC1RAB9AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP EGFR 1955/4885SMN1; SMN2 1308/4885NPC1 2946/4885

“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.