SCHEMBL2542967

SCHEMBL2542967

Cc1ccc(COC=O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPT P10636 4/20 0.42
ALOX5 P09917 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SRC P12931 1/20 0.34

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
5-Methylfurfural SCHEMBL14059950 0.86 ALDH1A1 (0.47) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL2540847 0.85 ALDH1A1 (0.35) KMT2AMAPTPOLBTDP1ALDH1A1
5-Methylfurfural SCHEMBL28591951 0.81 ALDH1A1 (0.42) MEN1KMT2AMAPTALOX5POLB
SCHEMBL182997 0.80 CHRM2 (0.44) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL16197726 0.76 CHRM2 (0.52) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL28835757 0.76 ALDH1A1 (0.31) ALDH1A1TSHRHPGD
SCHEMBL27614569 0.76 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL2541640 0.76 ALDH1A1 (0.57) MEN1KMT2ACYP2C9MAPTPOLB
SCHEMBL28109516 0.76 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL2544210 0.76 ALDH1A1 (0.52) CYP2C9MAPTPOLBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696645-B2 Method for producing purified dialkyl-furan-2,5-dicarboxylate EASTMAN CHEMICAL COMPANY (US) 2020-06-30 US disclosed
US-20190023676-A1 METHOD FOR PRODUCING PURIFIED DIALKYL-FURAN-2,5-DICARBOXYLATE EASTMAN CHEMICAL COMPANY (US) 2019-01-24 US disclosed
US-8324409-B2 Efficient method for preparing 2,5-dimethylfuran THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-04 US disclosed
US-8324409-B2 Efficient method for preparing 2,5-dimethylfuran THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-04 US disclosed
US-8324409-B2 Efficient method for preparing 2,5-dimethylfuran THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-04 US disclosed
US-20110263880-A1 EFFICIENT METHOD FOR PREPARING 2,5-DIMETHYLFURAN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-27 US disclosed
US-20110263880-A1 EFFICIENT METHOD FOR PREPARING 2,5-DIMETHYLFURAN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-27 US disclosed
US-20110263880-A1 EFFICIENT METHOD FOR PREPARING 2,5-DIMETHYLFURAN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-27 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 (3 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-10696645-B2 Method for producing purified dialkyl-furan-2,5-dicarboxylate DDC, ACACA, ACACB CHRM2 2494/4885MEN1 3993/4885KMT2A 2257/4885
US-20190023676-A1 METHOD FOR PRODUCING PURIFIED DIALKYL-FURAN-2,5-DICARBOXYLATE DDC, ACACA, ACACB CHRM2 2494/4885MEN1 3993/4885KMT2A 2257/4885
US-20110263880-A1 EFFICIENT METHOD FOR PREPARING 2,5-DIMETHYLFURAN DERA, ALDOA, DPYD CHRM2 3640/4885MEN1 1142/4885KMT2A 855/4885

“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.