SCHEMBL2120960

SCHEMBL2120960

CCC1(C(N)=O)CCCCC1c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PDE1C Q14123 1/20 0.42
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.39
HTR2C P28335 5/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.39
TRPA1 O75762 1/20 0.39
ADRB2 P07550 1/20 0.39
MTNR1A P48039 1/20 0.38
IDO1 P14902 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL518235 0.77 KDM1A (0.47) ALDH1A1POLBKDM4EBRD4MAPT
SCHEMBL5538605 0.75 KMT2A (0.41) ALDH1A1KDM4EGAALMNAMEN1
Hydrochloric Acid SCHEMBL6926718 0.74 KMT2A (0.40) ALDH1A1KDM4EGAALMNAHTR2C
SCHEMBL6472117 0.74 GAA (0.41) ALDH1A1KDM4EGAAHTR2CHTR2B
SCHEMBL6470517 0.72 HCRTR2 (0.36)
SCHEMBL2120953 0.70 TRPA1 (0.43) ALDH1A1MAPTLMNATRPA1MTNR1A
SCHEMBL9665674 0.66 ALDH1A1 (0.48) ALDH1A1POLBKDM4EBRD4CREBBP
SCHEMBL9665683 0.66 PDE1C (0.47) ALDH1A1POLBKDM4EBRD4CREBBP
SCHEMBL27781636 0.65 KDM4E (0.50) ALDH1A1POLBKDM4EBRD4CREBBP
SCHEMBL807343 0.65 HTR2C (0.74) ALDH1A1POLBKDM4EBRD4CREBBP

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 ALDH1A1 748/4885POLB 1810/4885KDM4E 1823/4885

“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.