SCHEMBL24622155

SCHEMBL24622155

COC(=O)N1CCCC12C=C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
USP2 O75604 2/20 0.40
JAK3 P52333 1/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2C9 P11712 5/20 0.37
CYP3A4 P08684 7/20 0.36
CYP2D6 P10635 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 5/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14930639 0.76 USP2 (0.42) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL10202118 0.73 USP2 (0.40) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL2683916 0.72 USP2 (0.39) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL15116477 0.72 USP2 (0.39) MAPK1USP2JAK3CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10884122 0.70 USP2 (0.38) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL10202326 0.70 USP2 (0.38) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL4743121 0.70 CYP1A2 (0.41) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL4728514 0.70 USP2 (0.38) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL19388185 0.68 USP2 (0.36) MAPK1USP2JAK3CYP1A2CYP2C9
SCHEMBL15113633 0.68 CYP1A2 (0.40) MAPK1USP2JAK3CYP1A2CYP2C9

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-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-14 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-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION CBR3, C1R, CBR1 MAPK1 4142/4885USP2 538/4885JAK3 3068/4885

“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.