SCHEMBL14768995

SCHEMBL14768995

CC(=O)Oc1ccc2c(c1)Oc1cc(C)ccc1C21OC(=O)c2ccc(I)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
KMT2A Q03164 4/20 0.68
LMNA P02545 4/20 0.68
MEN1 O00255 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HTT P42858 2/20 0.68
USP2 O75604 2/20 0.68
GSTP1 P09211 1/20 0.58
CYP3A4 P08684 1/20 0.47
FTO Q9C0B1 4/20 0.41
RECQL P46063 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
PRMT1 Q99873 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 2/20 0.40
GAPDH P04406 2/20 0.35

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
SCHEMBL14771618 0.95 MEN1 (0.75) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12576106 0.93 MAPT (0.69) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL13620842 0.92 MAPT (0.77) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL14768996 0.88 MAPT (0.68) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL14769054 0.87 MAPT (0.89) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12639986 0.87 MAPT (0.77) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL20353147 0.86 MAPT (0.78) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12576109 0.82 MEN1 (0.69) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL13620617 0.82 MEN1 (0.75) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL14771617 0.82 MEN1 (0.75) MAPTKMT2ALMNAMEN1ALDH1A1

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-9051597-B2 Fluorescent substrate for detection of enzymatic activity of nitrile-related enzyme MITSUBISHI RAYON CO., LTD. (JP) 2015-06-09 US disclosed
US-20140072990-A1 FLUORESCENT SUBSTRATE FOR DETECTION OF ENZYMATIC ACTIVITY OF NITRILE-RELATED ENZYME THE UNIVERSITY OF TOKYO (JP) 2014-03-13 US disclosed
US-20130065263-A1 FLUORESCENT SUBSTRATE FOR DETECTION OF ENZYMATIC ACTIVITY OF NITRILE-RELATED ENZYME THE UNIVERSITY OF TOKYO (JP) 2013-03-14 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-20130065263-A1 FLUORESCENT SUBSTRATE FOR DETECTION OF ENZYMATIC ACTIVITY OF NITRILE-RELATED ENZYME DNPH1, NOS1, NAALAD2 MAPT 3727/4885KMT2A 3773/4885LMNA 4225/4885

“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.