SCHEMBL9680768

SCHEMBL9680768

CC(C)(C)OC(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
ALOX15 P16050 1/20 0.71
FABP4 P15090 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SIRT2 Q8IXJ6 7/20 0.49
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
CXCR2 P25025 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TEAD4 Q15561 1/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
PTGS1 P23219 1/20 0.44
SIRT1 Q96EB6 2/20 0.43
MT-CO2 P00403 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
SCHEMBL5928450 0.87 MAPT (0.54) MAPTALOX15FABP4MEN1KMT2A
SCHEMBL10565574 0.83 ADRA1A (0.52) MAPTALOX15MEN1KMT2AADRA1A
SCHEMBL31914 0.83 MAPT (1.00) MAPTALOX15FABP4MEN1KMT2A
SCHEMBL22453708 0.83 MAPT (0.64) MAPTALOX15MEN1KMT2ASIRT2
SCHEMBL22453321 0.83 SIRT2 (0.56) MAPTALOX15FABP4MEN1KMT2A
SCHEMBL4220421 0.83 MAPT (0.49) MAPTALOX15SIRT2KDM4EALDH1A1
SCHEMBL12155855 0.82 TTR (0.64) MAPTALOX15MEN1KMT2ASIRT2
SCHEMBL1061421 0.81 ADRA1A (0.51) MAPTALOX15MEN1KMT2AADRA1A
SCHEMBL30627284 0.81 KDM4E (0.68) MAPTALOX15MEN1KMT2AADRA1A
SCHEMBL7200106 0.81 KDM4E (0.68) MAPTALOX15MEN1KMT2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 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 (2 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-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 MAPT 4419/4885ALOX15 198/4885FABP4 2988/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 MAPT 4419/4885ALOX15 198/4885FABP4 2988/4885

“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.