SCHEMBL2120979

SCHEMBL2120979

CC1CCC(C(C)C)C(C(=O)O)(C(C(N)=O)c2ccccn2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
KCNA5 P22460 3/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
CPB2 Q96IY4 4/20 0.33
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 2/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1062131 0.79 HTT (0.31)
SCHEMBL29657487 0.67 SMN1; SMN2 (0.40) ALDH1A1LMNACYP1A2TSHRCYP3A4
SCHEMBL21331613 0.67 ALDH1A1 (0.32) ALDH1A1LMNAKDM4ECYP3A4RAB9A
SCHEMBL4668738 0.66 CHRM2 (0.45) TP53ALDH1A1LMNAKDM4EMAPT
SCHEMBL11551088 0.66 HSD11B1 (0.31)
SCHEMBL891300 0.66 MAPT (0.37) ALDH1A1LMNACYP1A2KDM4EMAPT
SCHEMBL25423984 0.66 EPHX1 (0.38)
SCHEMBL27767356 0.64 NPC1 (0.40) LMNAMEN1KMT2A
SCHEMBL29627913 0.64 CYP1A2 (0.60) TP53ALDH1A1LMNACYP1A2TSHR
SCHEMBL626825 0.64 CYP1A2 (0.60) TP53ALDH1A1LMNACYP1A2TSHR

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-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 US claimed
US-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 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-20120095042-A1 Organic Compounds Having Cooling Properties ME3, ME2, MSMO1 TP53 2689/4885KCNA5 2345/4885ALDH1A1 748/4885

“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.