SCHEMBL2600381

SCHEMBL2600381

CC(=O)c1cc(O)c(C)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.56
ACHE P22303 1/20 0.50
LMNA P02545 3/20 0.46
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
HSD17B1 P14061 3/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 2/20 0.39
FUT7 Q11130 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
CA3 P07451 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10066339 0.88 CA5A (0.50) CA5AACHELMNACYP3A4HPGD
SCHEMBL11305809 0.84 PRKCI (0.47) CA5AACHELMNACYP3A4HPGD
SCHEMBL96069 0.81 LMNA (0.59) CA5ALMNAHPGDKDM4EFUT7
SCHEMBL19622609 0.81 CA5A (0.43) CA5AACHELMNACYP3A4HPGD
SCHEMBL22917564 0.80 POLB (0.60) CA5ALMNAKDM4EFUT7TDP1
SCHEMBL1919748 0.79 CA12 (0.64) CA5AACHELMNAHPGDPKM
SCHEMBL13144722 0.78 CA5A (0.50) CA5ALMNACYP3A4HPGDMEN1
SCHEMBL31500495 0.77 CA5A (0.54) CA5ALMNACYP3A4HPGDMEN1
Water SCHEMBL4387068 0.77 CA12 (0.61) CA5AACHELMNAHPGDPKM
Water SCHEMBL4387073 0.77 CA12 (0.61) CA5AACHELMNAHPGDPKM

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-11912736-B2 Diaryl trehalose compounds and uses thereof THE UNIVERSITY OF MONTANA (US) 2024-02-27 US disclosed
US-9629863-B2 CDK5 inhibitors and therapeutic uses thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-25 US disclosed
US-9237996-B2 Glucosyltransferase inhibitor containing epigallocatechin gallate polymer as active ingredient SUNTORY HOLDINGS LIMITED (JP) 2016-01-19 US disclosed
US-8575368-B2 Proanthocyanidin of cashew apple, composition containing proanthocyanidin, and application thereof Nichirei Biosciences, Inc. (JP) 2013-11-05 US disclosed
US-20120095063-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ISCHEMIC CONDITIONS AND CONDITIONS RELATED TO MITOCHONDRIAL FUNCTION CARDERO THERAPEUTICS, INC. 2012-04-19 US disclosed
US-20110263698-A1 PROANTHOCYANIDIN OF CASHEW APPLE, COMPOSITION CONTAINING PROANTHOCYANIDIN, AND APPLICATION THEREOF Nichirei Biosciences, Inc. (JP) 2011-10-27 US disclosed
US-20110150790-A1 GLUCOSYLTRANSFERASE INHIBITOR CONTAINING EPIGALLOCATECHIN GALLATE POLYMER AS ACTIVE INGREDIENT SUNTORY HOLDINGS LIMITED (JP) 2011-06-23 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 (4 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-20110150790-A1 GLUCOSYLTRANSFERASE INHIBITOR CONTAINING EPIGALLOCATECHIN GALLATE POLYMER AS ACTIVE INGREDIENT UGGT1, B4GALT1, MGAT1 CA5A 4362/4885ACHE 1232/4885LMNA 4036/4885
US-20120095063-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ISCHEMIC CONDITIONS AND CONDITIONS RELATED TO MITOCHONDRIAL FUNCTION MT-ND1, MT-ND2, MT-CO3 CA5A 166/4885ACHE 2768/4885LMNA 801/4885
US-20110263698-A1 PROANTHOCYANIDIN OF CASHEW APPLE, COMPOSITION CONTAINING PROANTHOCYANIDIN, AND APPLICATION THEREOF AMY1A, AMY2A, PEPD CA5A 3094/4885ACHE 65/4885LMNA 1065/4885
US-11912736-B2 Diaryl trehalose compounds and uses thereof TREH, STT3B, DDOST CA5A 2333/4885ACHE 616/4885LMNA 4611/4885

“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.