SCHEMBL10071248

SCHEMBL10071248

CC1(NC(=O)c2ccccc2)CC1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
FAAH O00519 1/20 0.51
KDM1A O60341 4/20 0.44
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
EZH2 Q15910 1/20 0.43
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7417055 0.77 MAPK1 (1.00) MAPK1CYP2C19FAAHKDM1AMAOA
SCHEMBL2128888 0.76 MAPK1 (0.74) MAPK1CYP2C19FAAHEPHX1ALDH1A1
SCHEMBL2128890 0.76 MAPK1 (0.74) MAPK1CYP2C19FAAHEPHX1ALDH1A1
SCHEMBL15542162 0.76 KDM1A (0.44) MAPK1CYP2C19KDM1AMAOAMAOB
SCHEMBL15767807 0.76 KDM1A (0.44) MAPK1CYP2C19KDM1AMAOAMAOB
SCHEMBL15542163 0.76 KDM1A (0.44) MAPK1CYP2C19KDM1AMAOAMAOB
SCHEMBL17223452 0.73 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL17223508 0.73 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL15787737 0.73 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL15787415 0.73 KDM1A (0.55) KDM1AMAOAMAOB

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-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 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-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 MAPK1 3601/4885CYP2C19 839/4885FAAH 2275/4885

“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.