SCHEMBL10073914

SCHEMBL10073914

[C-]#[N+]C1(C(=O)OC(C)(C)C)CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.40
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PPARA Q07869 1/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36
KDM1A O60341 6/20 0.36
MAOB P27338 5/20 0.36
MAOA P21397 4/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 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
SCHEMBL10073856 0.72 RORC (0.42) RORCLMNACYP2C9TSHRBLM
SCHEMBL14045956 0.71 MAPK1 (0.48) RORCLMNACYP2C9TSHRBLM
SCHEMBL544943 0.71 MEN1 (0.41) RORCLMNACYP2C9TSHRBLM
SCHEMBL545742 0.69 MAPK1 (0.67) RORCLMNACYP2C9TSHRBLM
SCHEMBL15116527 0.69 MAPK1 (0.48) RORCLMNACYP2C9TSHRBLM
SCHEMBL15116474 0.69 MAPK1 (0.48) RORCLMNACYP2C9TSHRBLM
SCHEMBL15116668 0.69 MAPK1 (0.48) RORCLMNACYP2C9TSHRBLM
SCHEMBL15116623 0.69 MAPK1 (0.48) RORCLMNACYP2C9TSHRBLM
SCHEMBL15542163 0.68 KDM1A (0.44) RORCLMNACYP2C9TSHRBLM
SCHEMBL15542162 0.68 KDM1A (0.44) RORCLMNACYP2C9TSHRBLM

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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA RORC 4506/4885LMNA 2060/4885CYP2C9 998/4885

“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.