SCHEMBL17119993

SCHEMBL17119993

Cc1ccc(OCC(=O)c2cc(C)c(O)cc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
HTT P42858 3/20 0.58
PKM P14618 1/20 0.58
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 4/20 0.50
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17121645 0.90 KMT2A (0.60) MAPTKMT2AMEN1HTTPKM
SCHEMBL17121765 0.88 MAPT (0.56) MAPTKMT2AMEN1HTTPKM
SCHEMBL17121763 0.88 MAPT (0.75) MAPTKMT2AMEN1HTTPKM
SCHEMBL19443068 0.88 MAPT (0.66) MAPTKMT2AMEN1HTTPKM
SCHEMBL17121762 0.88 KMT2A (0.56) MAPTKMT2AMEN1HTTPKM
SCHEMBL17119987 0.88 KMT2A (0.55) MAPTKMT2AMEN1HTTPKM
SCHEMBL17121644 0.87 KMT2A (0.54) MAPTKMT2AMEN1HTTPKM
SCHEMBL17120012 0.86 SMN1; SMN2 (0.54) MAPTKMT2AMEN1HTTPKM
SCHEMBL17120006 0.86 MAPT (0.53) MAPTKMT2AMEN1HTTPKM
SCHEMBL17120018 0.86 KMT2A (0.53) MAPTKMT2AMEN1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185801-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-06-16 US disclosed
US-20180021277-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2018-01-25 US disclosed
US-20180021277-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2018-01-25 US disclosed
US-9782363-B2 Anti-virulance compositions and methods CASE WESTERN RESERVE UNIVERSITY (US) 2017-10-10 US disclosed
US-9782363-B2 Anti-virulance compositions and methods CASE WESTERN RESERVE UNIVERSITY (US) 2017-10-10 US disclosed
US-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-05-04 US disclosed
US-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-05-04 US disclosed
US-20150265550-A1 ANTI-VIRULANCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2015-09-24 US disclosed
US-20150265550-A1 ANTI-VIRULANCE COMPOSITIONS AND METHODS CASE WESTERN RESERVE UNIVERSITY 2015-09-24 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-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY KLF10, KLF5, ICOS MAPT 2531/4885KMT2A 273/4885MEN1 2657/4885
US-20180021277-A1 ANTI-VIRULENCE COMPOSITIONS AND METHODS LTA, CUTA, ELANE MAPT 4434/4885KMT2A 3508/4885MEN1 4350/4885
US-20220185801-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY KLF10, KLF5, ICOS MAPT 2531/4885KMT2A 273/4885MEN1 2657/4885
US-20150265550-A1 ANTI-VIRULANCE COMPOSITIONS AND METHODS VAPA, SRRT, ANTXR2 MAPT 4706/4885KMT2A 2094/4885MEN1 4286/4885

“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.