SCHEMBL3355977

SCHEMBL3355977

COc1cc(C(=O)O)cc(C)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.68
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CA3 P07451 1/20 0.60
PKM P14618 1/20 0.60
CA5A P35218 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
PTGS2 P35354 1/20 0.56
CNR2 P34972 1/20 0.54
KMT2A Q03164 4/20 0.53
HTT P42858 3/20 0.50
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL312132 0.88 TPMT (0.55) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.88 TPMT (0.78) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 0.86 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 0.86 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 0.86 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 0.86 TPMT (0.75) TPMTCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL11851061 0.86 TPMT (0.53) TPMTCA12CA1CA2CA4
SCHEMBL786462 0.85 LMNA (0.60) TPMTKMT2AHTTPOLBMEN1
SCHEMBL11893913 0.84 TPMT (0.54) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL9427206 0.84 TPMT (0.72) TPMTCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003032-A It is a kind of(1,1- bis-fluoro ethyls)Diphenyl ethylene derivatives and its preparation method and application 上海应用技术大学 2018-05-08 CN claimed
CN-103301102-A Method for extracting antioxidant from myricaria laxiflora and application thereof UNIV CHINA THREE GORGES CTGU 2013-09-18 CN claimed
EP-2970595-B1 HIGH PURITY LIGNIN, LIGNIN COMPOSITIONS, AND HIGHER STRUCTURED LIGNIN RENMATIX INC (US) 2018-07-11 EP disclosed
CN-108003032-A It is a kind of(1,1- bis-fluoro ethyls)Diphenyl ethylene derivatives and its preparation method and application 上海应用技术大学 2018-05-08 CN disclosed
CN-107582702-A Medicine Wax composition for traditional Chinese medical science wax therapy and preparation method thereof 桂阳神农蜂生态农业有限公司 2018-01-16 CN disclosed
US-9512362-B2 Compound, liquid crystal composition, polymer material and film FUJIFILM CORPORATION (JP) 2016-12-06 US disclosed
CN-103301102-B Method for extracting antioxidant from myricaria laxiflora and application thereof UNIV CHINA THREE GORGES CTGU 2015-01-07 CN disclosed
US-20140374657-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND FILM FUJIFILM CORPORATION (JP) 2014-12-25 US disclosed
CN-103301102-A Method for extracting antioxidant from myricaria laxiflora and application thereof UNIV CHINA THREE GORGES CTGU 2013-09-18 CN disclosed
US-20110287059-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2011-11-24 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
EP-1645556-A1 Arylpiperazine-benzoylamide derivatives useful as pharmaceutical agents Boehringer Ingelheim International GmbH (DE) 2006-04-12 EP disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20110287059-A1 HONEY ANALYSIS GLO1, GLMN, AGER TPMT 1929/4885CA12 811/4885CA1 1225/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TPMT 2504/4885CA12 3064/4885CA1 1869/4885

“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.