SCHEMBL22249678

SCHEMBL22249678

Clc1ccc2oc3cncnc3c2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
AHR P35869 4/20 0.47
HRH4 Q9H3N8 14/20 0.46
CDC7 O00311 1/20 0.46
DYRK3 O43781 1/20 0.46
IGF1R P08069 1/20 0.46
PIM1 P11309 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CSNK2A1 P68400 1/20 0.46
DYRK1A Q13627 1/20 0.46
PKN2 Q16513 1/20 0.46
PIM3 Q86V86 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PIM2 Q9P1W9 1/20 0.46

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
SCHEMBL16974136 0.80 MAPT (0.47) ALDH1A1LMNAKMT2AGPR55CDC7
SCHEMBL13509562 0.80 HRH4 (0.41) ALDH1A1LMNAKMT2AGPR55HRH4
SCHEMBL31485757 0.76 PLA2G2A (0.42) LMNACDC7PIM1PIM3PIM2
SCHEMBL4594832 0.76 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AGPR55AHR
SCHEMBL22483135 0.75 IDO1 (0.34) ALDH1A1LMNAKMT2AGPR55DYRK1A
SCHEMBL483929 0.75 SMN1; SMN2 (0.51) ALDH1A1LMNAKMT2AHRH4
SCHEMBL3661706 0.75 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AGPR55AHR
SCHEMBL16982232 0.74 SMN1; SMN2 (0.35) ALDH1A1LMNAKMT2AGPR55GSK3B
SCHEMBL22483138 0.73 EGFR (0.39) ALDH1A1LMNAKMT2AGPR55CSNK2A1
SCHEMBL22249679 0.73 SMN1; SMN2 (0.36) ALDH1A1LMNAKMT2AGPR55AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200235306-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 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-20200235306-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME OR10J3, PIEZO1, ODC1 ALDH1A1 63/4885LMNA 2474/4885KMT2A 3007/4885

“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.