SCHEMBL10073856

SCHEMBL10073856

CC(C)(C)OC(=O)C1(C#N)CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.42
CHRM1 P11229 1/20 0.39
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
CTSC P53634 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 5/20 0.36
MAOB P27338 5/20 0.36
MAOA P21397 4/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL10073865 0.88 LMNA (0.37) RORCLMNACYP2C9TSHRBLM
SCHEMBL671693 0.85 GAA (0.43) LMNACYP2C9TSHRBLMPPARA
SCHEMBL15960825 0.84 MAPT (0.43) CHRM1TSHRCTSCKDM1AMAOB
SCHEMBL10073858 0.81 NR3C2 (0.48) LMNAGAASMN1; SMN2ABCB1PDE4D
SCHEMBL11209553 0.81 SMN1; SMN2 (0.50) CYP2C9TSHRBLMCTSCGAA
SCHEMBL669219 0.79 MAPK1 (0.44) CHRM1CTSCKDM1AMAOBMAOA
SCHEMBL669831 0.76 GAA (0.45) TSHRGAAABCB1
SCHEMBL10073881 0.76 CTSS (0.41) CTSC
SCHEMBL669830 0.76 GAA (0.45) TSHRGAAABCB1
SCHEMBL6624487 0.76 KDM1A (0.43) CHRM1CTSCKDM1AMAOBMAOA

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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 US disclosed
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 4506/4885CHRM1 1062/4885LMNA 2060/4885

“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.