SCHEMBL2544210

SCHEMBL2544210

O=COCc1ccc(CO)o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2A6 P11509 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
SRC P12931 1/20 0.31
G6PC1 P35575 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 3/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2540847 0.89 ALDH1A1 (0.35) ALDH1A1TSHRTDP1MAPTSMN1; SMN2
SCHEMBL28273403 0.82 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL28835757 0.80 ALDH1A1 (0.31) ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL28109516 0.80 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL19248471 0.79 CA2 (0.38) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17485950 0.78 SMN1; SMN2 (0.33) ALDH1A1TSHRTDP1MAPTSMN1; SMN2
SCHEMBL19248474 0.77 ALDH1A1 (0.49) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL17537995 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL2541640 0.76 ALDH1A1 (0.57) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL2542967 0.76 CHRM2 (0.44) ALDH1A1TSHRTDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110263880-A1 EFFICIENT METHOD FOR PREPARING 2,5-DIMETHYLFURAN DERA, ALDOA, DPYD ALDH1A1 99/4885TSHR 4737/4885TDP1 2148/4885

“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.