SCHEMBL2120953

SCHEMBL2120953

CCC1CCCCC1(C(N)=O)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
MAPT P10636 6/20 0.42
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
STING1 Q86WV6 2/20 0.39
MTNR1A P48039 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
STAT3 P40763 1/20 0.36
LMNA P02545 1/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36

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
SCHEMBL518232 0.78 HDAC4 (0.43) MAPTALDH1A1RAB9ATP53NPC1
Hydrochloric Acid SCHEMBL6926708 0.74 LMNA (0.40) SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6472112 0.74 HDAC4 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL3243758 0.72 HDAC1 (0.55) MAPTHDAC1SMN1; SMN2ALDH1A1ATM
SCHEMBL6470509 0.72 SLC6A9 (0.37)
SCHEMBL30390141 0.71 HDAC1 (0.53) MAPTHDAC1SMN1; SMN2ALDH1A1ATM
SCHEMBL2120960 0.70 ALDH1A1 (0.43) TRPA1MAPTSMN1; SMN2MTNR1AALDH1A1
SCHEMBL3720163 0.70 ALDH1A1 (0.51) MAPTHDAC1SMN1; SMN2ALDH1A1ATM
SCHEMBL6922910 0.69 HSD11B1 (0.40) TRPA1ALDH1A1MEN1MAPK1KMT2A
SCHEMBL6923376 0.68 SLC6A4 (0.43) MAPTSMN1; SMN2ALDH1A1ATMRAB9A

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-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

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 TRPA1 566/4885MAPT 1219/4885HDAC1 1289/4885

“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.