SCHEMBL500771

SCHEMBL500771

Cc1cccc(B2OCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL14983435 0.92 ACHE (0.41) ACHEALDH1A1MAPK1L3MBTL1TP53
SCHEMBL3458156 0.86 ACHE (0.35) ACHEALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL16674036 0.81 ACHE (0.38) ACHEALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL3793235 0.80 ACHE (0.50) ACHEALDH1A1MAPK1L3MBTL1TP53
SCHEMBL13136869 0.76
SCHEMBL3190549 0.75 CA12 (0.44) ACHEALDH1A1TDP1CYP3A4CYP2C9
SCHEMBL500331 0.75 ALDH1A1 (0.37) ALDH1A1TP53NPC1CYP1A2CYP3A4
SCHEMBL500200 0.75 CES2 (0.38) ACHEMAPK1NPC1CYP1A2CYP3A4
SCHEMBL3192035 0.75 CYP3A4 (0.44) ALDH1A1MAPK1TDP1CYP3A4MAPT
SCHEMBL14986030 0.75 MAPT (0.37) ALDH1A1MAPK1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9825228-B2 Hyperbranched polymers, process for the preparation thereof and use thereof in electronic devices MERCK PATENT GMBH (DE) 2017-11-21 US disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20140339476-A1 HYPERBRANCHED POLYMERS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 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-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 ACHE 978/4885ALDH1A1 2013/4885MAPK1 4666/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA ACHE 2321/4885ALDH1A1 2088/4885MAPK1 4474/4885

“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.