SCHEMBL4524088

SCHEMBL4524088

CC(O)c1cc(C#Cc2cccc3ccccc23)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CHAT P28329 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPRT1 P00492 1/20 0.37
CASP6 P55212 1/20 0.37
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CTSB P07858 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
SCHEMBL4519234 0.77 TSHR (0.44) ACACBALDH1A1MEN1KMT2ATSHR
SCHEMBL4519084 0.75 ERN1 (0.45)
SCHEMBL32681308 0.74 ERN1 (0.40) ALDH1A1MEN1KMT2ATDP1
SCHEMBL4524383 0.74 PDK1 (0.33) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL4520641 0.74 P2RY6 (0.40) ALDH1A1TSHR
SCHEMBL4512933 0.73 HCRTR1 (0.37) ALDH1A1MEN1KMT2ATSHR
SCHEMBL4519930 0.72 FFAR1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL12920718 0.71 CASP6 (0.47) ALDH1A1MEN1KMT2AHPRT1CASP6
SCHEMBL4531614 0.69 FFAR1 (0.39) MEN1KMT2A
SCHEMBL4525918 0.69 MAPT (0.39) ALDH1A1TDP1CTSB

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-7566773-B2 Photolabile compound and substrate for oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-07-28 US disclosed
US-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same SAMSUNG ELECTRONICS CO., LTD (KR) 2008-03-06 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 (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-20080057489-A1 Photolabile Compound and Substrate for Oligomer Probe Array with the Same APBA1, B3GNT2, PCNA ACACB 244/4885ALDH1A1 825/4885CHAT 778/4885

“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.