SCHEMBL11044495

SCHEMBL11044495

O=C(O)c1occc1CCc1ccoc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ESR1 P03372 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.47
ALOX5 P09917 1/20 0.38
ACLY P53396 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MCL1 Q07820 1/20 0.35
DAO P14920 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33

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
SCHEMBL28446070 0.90 KMT2A (0.53) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL8507182 0.89 KMT2A (0.61) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL28289831 0.88 KMT2A (0.51) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL18582793 0.88 KMT2A (0.51) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL11040710 0.86 KMT2A (0.50) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL15200656 0.85 KMT2A (0.49) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL11575458 0.85 KMT2A (0.49) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL425251 0.84 KMT2A (0.56) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL867113 0.84 KMT2A (0.56) KMT2AL3MBTL1TDP1ESR1TP53
SCHEMBL11522816 0.83 KMT2A (0.54) KMT2AL3MBTL1TDP1ESR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040889-B1 ACTIVATORS FOR ZIEGLER TYPE POLYMERIZATION CATALYSTS UNIROYAL, INC. (US) 1984-05-30 EP claimed
US-4347159-A CHLORINATED ESTER OF (TETRAHYDRO)FUROIC ACID UNIROYAL, INC. (US) 1982-08-31 US claimed
EP-0040889-A1 Activators for Ziegler type polymerization catalysts UNIROYAL, INC. (US) 1981-12-02 EP claimed
US-9994539-B2 Formation of 2,5-furan dicarboxylic acid from aldaric acids BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2018-06-12 US disclosed
US-20170305873-A1 FORMATION OF 2,5-FURAN DICARBOXYLIC ACID FROM ALDARIC ACIDS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-10-26 US disclosed
US-9701652-B2 Formation of 2,5-furan dicarboxylic acid from aldaric acids BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2017-07-11 US disclosed
US-20170144982-A1 Formation of 2,5-Furan Dicarboxylic Acid from Aldaric Acids BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-05-25 US disclosed
EP-0040889-B1 ACTIVATORS FOR ZIEGLER TYPE POLYMERIZATION CATALYSTS UNIROYAL, INC. (US) 1984-05-30 EP disclosed
US-4451575-A Activators for Ziegler type polymerization catalysts using bis(trichloromethyl) sulfone UNIROYAL, INC. (US) 1984-05-29 US disclosed
US-4347159-A CHLORINATED ESTER OF (TETRAHYDRO)FUROIC ACID UNIROYAL, INC. (US) 1982-08-31 US disclosed
EP-0040889-A1 Activators for Ziegler type polymerization catalysts UNIROYAL, INC. (US) 1981-12-02 EP 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-20170305873-A1 FORMATION OF 2,5-FURAN DICARBOXYLIC ACID FROM ALDARIC ACIDS PGD, DERA, ALDOA KMT2A 2778/4885L3MBTL1 4485/4885TDP1 1486/4885
US-20170144982-A1 Formation of 2,5-Furan Dicarboxylic Acid from Aldaric Acids PGD, DERA, ALDOA KMT2A 2778/4885L3MBTL1 4485/4885TDP1 1486/4885

“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.