SCHEMBL21116862

SCHEMBL21116862

c1ccc2c(c1)ccc1sc3cc(-c4nc(-c5ccc6c(c5)sc5ccccc56)nc(-c5ccc6c(c5)sc5ccccc56)n4)ccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR3 P46089 1/20 0.40
▸ NQO2 P16083 2/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP1A1 P04798 3/20 0.33

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
SCHEMBL20064191 0.88 CYP1A1 (0.38) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL24307102 0.87 ALDH1A1 (0.45) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL25557620 0.87 MCL1 (0.38) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL15315643 0.86 GPR3 (0.54) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL30422699 0.86 GPR3 (0.54) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL22880363 0.86 MEN1 (0.37) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL24384340 0.85 F9 (0.39) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL22880167 0.85 MAPT (0.37) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL21707173 0.85 SMN1; SMN2 (0.46) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL24266756 0.85 SMN1; SMN2 (0.46) MAPTHPGDRAB9AALDH1A1SMN1; SMN2

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-20190198780-A1 ORGANIC COMPOUND AND COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-27 — — 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-20190198780-A1 ORGANIC COMPOUND AND COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 MAPT 2200/4885HPGD 3708/4885RAB9A 2562/4885

“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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