SCHEMBL10083062

SCHEMBL10083062

CCCCOC(=O)C1(N)CC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
MAOA P21397 13/20 0.46
MAOB P27338 13/20 0.46
KDM1A O60341 11/20 0.46
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL15767768 0.86 GAA (0.53) MAOAMAOBKDM1A
SCHEMBL903428 0.86 GAA (0.53) MAOAMAOBKDM1A
Trifluoroacetic Acid SCHEMBL15667517 0.79 GAA (0.47) MAOAMAOBKDM1A
SCHEMBL903571 0.79 MAOA (0.50) MAOAMAOBKDM1ATDP1L3MBTL1
SCHEMBL2074431 0.78 KDM1A (0.50) MAOAMAOBKDM1A
SCHEMBL2074430 0.78 KDM1A (0.50) MAOAMAOBKDM1A
SCHEMBL10083061 0.77 PPARG (0.43) PPARGTSHRTDP1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2131519 0.77 KDM1A (0.51) MAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL2130468 0.77 KDM1A (0.51) MAOAMAOBKDM1A
Trifluoroacetic Acid SCHEMBL15284412 0.76 GAA (0.47) MAOAMAOBKDM1A

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 PPARG 1579/4885MAOA 458/4885MAOB 1022/4885

“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.