SCHEMBL23943203

SCHEMBL23943203

C=C(CCCCNCC)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.41
KDM1A O60341 5/20 0.39
SAT1 P21673 3/20 0.35
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PAOX Q6QHF9 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
SCHEMBL20785628 0.80 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL22767932 0.79 HRH4 (0.38) HRH4HRH3
SCHEMBL21016310 0.79 HRH4 (0.38) HRH4HRH3
SCHEMBL24770440 0.79 HRH4 (0.38) HRH4HRH3
SCHEMBL22295501 0.78 CYP2C19 (0.44) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL24141249 0.78 CYP2C19 (0.41) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL22271619 0.77 EPHX1 (0.41) PAOX
SCHEMBL24289039 0.76 CYP2C19 (0.52) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL12094833 0.75 CYP2C19 (0.46) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL23976540 0.74 CYP2C19 (0.50) CYP2C19CYP1A2MEN1GLAKMT2A

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-20210324031-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING LEPTIN RESISTANCE, OBESITY, DIABETES MELLITUS AND METABOLIC SYNDROME LINK THERAPEUTICS, LLC 2021-10-21 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-20210324031-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING LEPTIN RESISTANCE, OBESITY, DIABETES MELLITUS AND METABOLIC SYNDROME LIPE, GPR119, FABP4 CYP2C19 3959/4885CYP1A2 4496/4885MEN1 2439/4885

“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.