SCHEMBL20328436

SCHEMBL20328436

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5ccc6c(ccc7cc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)sc76)c5s4)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.47
▸ CYP1B1 Q16678 3/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ CYP1A2 P05177 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ PRKCI P41743 5/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ GGPS1 O95749 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL20328467 0.97 CYP1A1 (0.44) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL20328474 0.93 MEN1 (0.47) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL20328435 0.91 ADORA2A (0.40) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL20328430 0.88 CYP1A1 (0.39) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL2368350 0.87 CYP1A1 (0.57) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL12278524 0.85 CYP1A1 (0.56) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL23555964 0.83 CYP1A1 (0.54) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL20248871 0.83 ADORA2A (0.51) CYP1A1CYP1B1ADORA2AADORA1PRKCI
SCHEMBL23264295 0.82 CYP1A1 (0.53) CYP1A1CYP1B1ADORA2AADORA1CYP1A2
SCHEMBL23264294 0.82 CYP1A1 (0.53) CYP1A1CYP1B1ADORA2AADORA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418567-B2 Organic compound for organic EL device and using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-09-17 — — US disclosed
US-20180182978-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-28 — — US disclosed
US-20180182978-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-28 — — 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 (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-10418567-B2 Organic compound for organic EL device and using the same EML4, LEF1, ELOB CYP1A1 229/4885CYP1B1 345/4885ADORA2A 4426/4885
US-20180182978-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME EML4, LEF1, ELOB CYP1A1 229/4885CYP1B1 345/4885ADORA2A 4426/4885

“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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