SCHEMBL545372

SCHEMBL545372

CC(C)(C)OC(=O)C1([N+](=O)[O-])CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
RORC P51449 11/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 1/20 0.34
P2RY14 Q15391 1/20 0.34
CPB2 Q96IY4 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
SCHEMBL544947 0.90 LMNA (0.36) RORCLMNACYP2C9TSHRBLM
SCHEMBL544862 0.86 LMNA (0.36) RORCLMNACYP2C9TSHRBLM
SCHEMBL545374 0.85 RORC (0.42) KDM1ARCOR1RORCLMNACYP2C9
SCHEMBL544943 0.85 MEN1 (0.41) KDM1ARORCLMNACYP2C9TSHR
SCHEMBL545026 0.84 KDM1A (0.43) KDM1ARCOR1RORCLMNATSHR
SCHEMBL545048 0.77 NR3C2 (0.52) LMNACYP2C9TSHRMAPT
SCHEMBL544728 0.76 SMN1; SMN2 (0.40) RORCLMNACYP2C9MAPT
SCHEMBL10071238 0.72 KDM1A (0.47) KDM1ARCOR1
SCHEMBL12860010 0.70 GAA (0.37) KDM1ARCOR1LMNATSHR
SCHEMBL544636 0.70 GAA (0.42) KDM1ARCOR1RORCLMNACYP2C9

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 KDM1A 1406/4885RCOR1 1859/4885RORC 2619/4885

“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.