SCHEMBL10073865

SCHEMBL10073865

Cc1ccc(C2CC2(C#N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PPARA Q07869 1/20 0.37
GPR119 Q8TDV5 1/20 0.34
RORC P51449 8/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
OPRM1 P35372 1/20 0.32
RIPK1 Q13546 1/20 0.32
GAA P10253 1/20 0.31

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 0.88 RORC (0.42) LMNACYP2C9TSHRBLMPPARA
SCHEMBL671693 0.87 GAA (0.43) LMNACYP2C9TSHRBLMPPARA
SCHEMBL10073858 0.75 NR3C2 (0.48) LMNAKMT2ASMN1; SMN2MEN1GAA
SCHEMBL10073885 0.73 CTSK (0.33) KMT2AMEN1
SCHEMBL544862 0.72 LMNA (0.36) LMNACYP2C9TSHRBLMPPARA
SCHEMBL15960825 0.71 MAPT (0.43) TSHRKMT2AMEN1HTT
SCHEMBL11209553 0.71 SMN1; SMN2 (0.50) CYP2C9TSHRBLMSMN1; SMN2HTT
SCHEMBL28612654 0.69 KMT2A (0.37) LMNATSHRKMT2ASMN1; SMN2MEN1
SCHEMBL669757 0.69 CTSK (0.34) KMT2AMEN1
SCHEMBL668943 0.68 CTSK (0.30)

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 LMNA 2060/4885CYP2C9 998/4885TSHR 4532/4885

“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.