SCHEMBL21116786

SCHEMBL21116786

c1ccc2c(c1)oc1cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ AHR P35869 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MMP12 P39900 1/20 0.34

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
SCHEMBL21116813 0.97 AHR (0.41) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116769 0.97 AHR (0.41) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116755 0.96 ALDH1A1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116847 0.96 ALDH1A1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL22329714 0.95 AHR (0.38) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116809 0.95 MAPT (0.40) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116791 0.95 MAPT (0.40) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116810 0.95 MAPT (0.40) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116790 0.94 HCRTR1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2AHR
SCHEMBL21116795 0.94 HCRTR1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2AHR

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 ALDH1A1 339/4885MAPT 2200/4885HPGD 3708/4885

“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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