SCHEMBL21215918

SCHEMBL21215918

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ LMNA P02545 3/20 0.57
▸ ADRB2 P07550 1/20 0.57
▸ ADRB1 P08588 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NR4A1 P22736 1/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ NR4A3 Q92570 1/20 0.50
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL22976871 1.00 KMT2A (0.58) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL16358433 0.88 ADRB2 (0.59) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL12849131 0.88 KMT2A (0.56) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL25119571 0.85 MAPT (0.56) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL22976794 0.85 ADRB2 (0.53) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL22976791 0.85 ADRB2 (0.53) KMT2ASLC6A2SLC6A3TDP1LMNA
Benzyl Benzoate SCHEMBL1142343 0.84 KMT2A (0.77) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20830746 0.83 KMT2A (0.61) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL10800220 0.82 RAB9A (0.61) KMT2ASLC6A2SLC6A3LMNAMAPT
SCHEMBL11685944 0.82 RAB9A (0.61) KMT2ASLC6A2SLC6A3LMNAMAPT

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 5 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-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-18 — — US disclosed
WO-2019145360-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-01 — — WO 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-11453657-B2 Compounds for the treatment of parasitic infections PIGO, SGMS2, ABCB11 KMT2A 2592/4885SLC6A2 2059/4885SLC6A3 2888/4885
US-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS PIGO, ENPP2, THPO KMT2A 2790/4885SLC6A2 2997/4885SLC6A3 3645/4885

“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.

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