SCHEMBL10071229

SCHEMBL10071229

Cc1ccccc1C1CC1(C)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.39
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL10071225 0.77 KDM1A (0.50) ALDH1A1KMT2AMEN1CYP2C19LMNA
SCHEMBL10071228 0.71 KMT2A (0.50) NPSR1ALDH1A1TDP1HTR2CKMT2A
SCHEMBL544900 0.70 CA1 (0.42) NPSR1ALDH1A1CYP2C19GAASMN1; SMN2
SCHEMBL11142532 0.70 HTR2C (0.44) NPSR1HSD17B10DDB1CRBNALDH1A1
SCHEMBL10071239 0.69 LMNA (0.51) ALDH1A1TDP1KMT2AMEN1GAA
SCHEMBL19382141 0.67 NPSR1 (0.45) NPSR1HSD17B10DDB1CRBNALDH1A1
SCHEMBL17864315 0.67 NPSR1 (0.45) NPSR1HSD17B10DDB1CRBNALDH1A1
SCHEMBL10071240 0.65
SCHEMBL26976690 0.63 DDB1 (0.46) NPSR1HSD17B10DDB1CRBNALDH1A1
SCHEMBL26976647 0.63 ALDH1A1 (0.43) HSD17B10DDB1CRBNALDH1A1HTR2C

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 NPSR1 2608/4885HSD17B10 392/4885DDB1 1420/4885

“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.