SCHEMBL17118293

SCHEMBL17118293

CC(C)c1ccc(C(C)C)c(N=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
RNASEH1 O60930 1/20 0.37
TRPA1 O75762 2/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
TYR P14679 4/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 2/20 0.35
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.35
EIF4A3 P38919 1/20 0.35
FABP5 Q01469 1/20 0.34
HDAC4 P56524 2/20 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
SCHEMBL19334606 0.79 LMNA (0.38) LMNAHTTRNASEH1TRPA1PTGS1
SCHEMBL20306061 0.79 LMNA (0.50) LMNAHTTTRPA1CHRM1SLC6A2
SCHEMBL21538604 0.79 LMNA (0.40) LMNAHTTTRPA1PTGS1MAPT
SCHEMBL7591507 0.79 CYP3A4 (0.38) LMNAHTTRNASEH1TRPA1PTGS1
SCHEMBL3285296 0.78 RNASEH1 (0.53) LMNAHTTRNASEH1TRPA1PTGS1
SCHEMBL16918736 0.78 TYR (0.42) LMNAHTTRNASEH1TRPA1PTGS1
SCHEMBL19358239 0.76 TRPA1 (0.38) LMNAHTTRNASEH1TRPA1PTGS1
SCHEMBL19358237 0.76 TRPA1 (0.38) LMNAHTTRNASEH1TRPA1PTGS1
SCHEMBL5693590 0.75 TRPA1 (0.37) LMNAHTTRNASEH1TRPA1PTGS1
SCHEMBL12812552 0.75 ALDH1A1 (0.38) LMNAHTTMAPTTDP1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150267232-A1 IN VIVO AND IN VITRO CARBENE INSERTION AND NITRENE TRANSFER REACTIONS CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-24 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-20150267232-A1 IN VIVO AND IN VITRO CARBENE INSERTION AND NITRENE TRANSFER REACTIONS CATALYZED BY HEME ENZYMES HMBS, HMOX1, HMOX2 LMNA 3091/4885HTT 1172/4885RNASEH1 617/4885

“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.