SCHEMBL299235

SCHEMBL299235

CC(C)C(C)(C(=O)NCCn1ccc2ccccc21)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C19 P33261 1/20 0.68
HSD17B10 Q99714 4/20 0.56
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 3/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 3/20 0.52
HPGD P15428 2/20 0.51

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
SCHEMBL290743 0.93 MAPK1 (0.58) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL23116611 0.81 MAPK1 (0.67) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL10877541 0.76 MAPK1 (0.67) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL29780037 0.73 MAPK1 (0.68) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL12605546 0.71 MAPK1 (0.83) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL2512199 0.71 CDK4 (0.68) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL10165541 0.71 LMNA (0.65) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL23844605 0.71 LMNA (0.65) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL3596244 0.70 LMNA (0.60) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL19148301 0.70 LMNA (0.60) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 US claimed
WO-2010128026-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 WO claimed
US-8664261-B2 Organic compounds having cooling properties GIVAUDAN S.A. (CH) 2014-03-04 US disclosed
US-8664261-B2 Organic compounds having cooling properties GIVAUDAN S.A. (CH) 2014-03-04 US disclosed
US-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 US disclosed
US-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 US disclosed
EP-2427170-A2 ORGANIC COMPOUNDS HAVING COOLING PROPERTIES Givaudan SA (CH) 2012-03-14 EP disclosed
WO-2010128026-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 WO disclosed
WO-2010128026-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 WO 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-20120095042-A1 Organic Compounds Having Cooling Properties ME3, ME2, MSMO1 MAPK1 3114/4885CYP1A2 241/4885CYP3A4 115/4885

“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.