SCHEMBL21523085

SCHEMBL21523085

CC(C)C(C)(C(=O)NC[C@@H](O)c1ccccc1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ASAH1 Q13510 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
RIPK1 Q13546 1/20 0.47
AOC3 Q16853 3/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21523086 1.00 BCAT2 (0.57) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12788580 0.85 BCAT2 (0.62) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL21523037 0.82 GBA1 (0.41) BCAT2RIPK1
Hydrochloric Acid SCHEMBL21523038 0.82 GBA1 (0.41) BCAT2RIPK1
SCHEMBL13662572 0.81 BCAT2 (0.57) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13662555 0.81 RIPK1 (0.58) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21523084 0.81 RIPK1 (0.46) LMNARIPK1
SCHEMBL21523083 0.81 RIPK1 (0.46) LMNARIPK1
SCHEMBL1624911 0.78 NPC1 (0.58) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL350453 0.78 NPC1 (0.58) BCAT2NPC1RAB9ASMN1; SMN2KDM4E

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 BCAT2 4386/4885NPC1 2946/4885RAB9A 2546/4885

“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.