SCHEMBL14829922

SCHEMBL14829922

CC(C)Cc1c(B(O)O)cccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CXCR5 P32302 2/20 0.38
ALDH1A1 P00352 5/20 0.38
ALOX15 P16050 1/20 0.38
FBP1 P09467 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
DHODH Q02127 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 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
SCHEMBL3391567 0.86 ALDH1A1 (0.46) MAPTHDAC8CXCR5ALDH1A1ALOX15
SCHEMBL5546834 0.81 CLCN2 (0.42) MAPTHDAC8ALDH1A1ALOX15KDM4E
SCHEMBL29246653 0.81 ALDH1A1 (0.41) MAPTHDAC8ALDH1A1ALOX15KDM4E
SCHEMBL361119 0.79 GABRA1 (0.50) MAPTHDAC8CXCR5ALDH1A1ALOX15
SCHEMBL3308510 0.79 CXCR5 (0.54) CXCR5ALDH1A1ALOX15FBP1KDM4E
SCHEMBL8735410 0.79 ALDH1A1 (0.48) MAPTHDAC8CXCR5ALDH1A1ALOX15
SCHEMBL14485075 0.78 GABRA1 (0.48) MAPTHDAC8CXCR5ALDH1A1ALOX15
SCHEMBL7645921 0.78 TSHR (0.52) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL15592325 0.78 ALB (0.50) MAPTHDAC8CXCR5ALDH1A1ALOX15
SCHEMBL1950367 0.78 CYP1A2 (0.44) ALDH1A1ALOX15FBP1KDM4EDHODH

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-9162999-B2 Catalytic conversion of cellulose to fuels and chemicals using boronic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-10-20 US disclosed
US-20130178617-A1 CATALYTIC CONVERSION OF CELLULOSE TO FUELS AND CHEMICALS USING BORONIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-07-11 US disclosed
WO-2013049424-A1 CATALYTIC CONVERSION OF CELLULOSE TO FUELS AND CHEMICALS USING BORONIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-04 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-20130178617-A1 CATALYTIC CONVERSION OF CELLULOSE TO FUELS AND CHEMICALS USING BORONIC ACIDS MGAM, CA2, CA6 MAPT 512/4885HDAC8 3198/4885CXCR5 4416/4885

“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.