SCHEMBL22988884

SCHEMBL22988884

O=C(OCc1ccccc1)c1ccc(OC[C@H]2CO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LMNA P02545 1/20 0.56
CHRNB2 P17787 1/20 0.54
CHRNA5 P30532 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
MGLL Q99685 2/20 0.47
MAOB P27338 1/20 0.47
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL2525947 1.00 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL8119333 1.00 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL29051137 0.90 KMT2A (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL29051134 0.87 MEN1 (0.58) KMT2ALMNACHRNB2CHRNA5CHRNA7
SCHEMBL14727179 0.84 ALDH1A1 (0.55) TDP1KMT2ALMNAALDH1A1MAPT
SCHEMBL217123 0.84 ALDH1A1 (0.55) TDP1KMT2ALMNAALDH1A1MAPT
SCHEMBL19892095 0.84 ALDH1A1 (0.55) TDP1KMT2ALMNAALDH1A1MAPT
SCHEMBL6538786 0.84 KMT2A (0.59) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL21215915 0.84 LMNA (0.47) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL21216020 0.84 LMNA (0.47) TDP1KMT2ASLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453657-B2 Compounds for the treatment of parasitic infections GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-09-27 US disclosed
EP-3743419-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-09-14 EP disclosed
US-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-18 US disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 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 (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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 TDP1 2946/4885KMT2A 1262/4885SLC6A2 4828/4885
US-11453657-B2 Compounds for the treatment of parasitic infections PIGO, SGMS2, ABCB11 TDP1 4775/4885KMT2A 2592/4885SLC6A2 2059/4885
US-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS PIGO, ENPP2, THPO TDP1 4763/4885KMT2A 2790/4885SLC6A2 2997/4885

“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.