SCHEMBL6307396

SCHEMBL6307396

CC(=O)CCC(=O)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 4/20 0.67
EPHX2 P34913 1/20 0.63
HTT P42858 1/20 0.62
TSHR P16473 3/20 0.58
HPGD P15428 2/20 0.58
RECQL P46063 1/20 0.58
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL19476509 0.89 GAA (0.83) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL30992146 0.89 MEN1 (0.80) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL5607428 0.85 GAA (0.70) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL93948 0.85 GAA (0.75) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL7126303 0.85 GAA (0.63) GAAMEN1KMT2AL3MBTL1CYP3A4
Acetic Acid SCHEMBL29696065 0.84 CYP3A4 (0.81) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL770934 0.83 CYP3A4 (0.87) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL2942358 0.82 MEN1 (0.96) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL8269430 0.82 TPSAB1 (0.83) GAAL3MBTL1CYP3A4CYP2C19ALDH1A1
SCHEMBL27891875 0.82 ALDH1A1 (0.53) GAAMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-24 US disclosed
WO-2013029479-A1 MYCOPHENOLIC ACID DERIVATIVE AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 (CN) 2013-03-07 WO disclosed
US-6849767-B2 Method of hydroborating alcohols and reducing functional groups using a recyclable fluorous borane-sulfide THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-02-01 US disclosed
US-20040116747-A1 Method of hydroborating alcohols and reducing functional groups using a recyclable fluorous borane-sulfide UNIVERSITY OF ILLINOIS AT CHICAGO 2004-06-17 US disclosed
WO-2004011472-A2 METHOD OF HYDROBORATING ALCOHOLS AND REDUCING FUNCTIONAL GROUPS USING A RECYCLABLE FLUOROUS BORANE-SULFIDE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-02-05 WO 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-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY IDE, IAPP, POLRMT GAA 115/4885MEN1 3644/4885KMT2A 3958/4885

“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.