SCHEMBL20248873

SCHEMBL20248873

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc6c(-c7ccccc7)c7sccc7c(-c7ccccc7)c6s5)cc4)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ GGPS1 O95749 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ PRKCI P41743 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL20248872 0.99 ADORA2A (0.46) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20248869 0.96 ADORA2A (0.42) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20248868 0.93 ADORA2A (0.44) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20248901 0.92 MEN1 (0.43) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20248874 0.89 ADORA2A (0.54) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20240253 0.87 ADORA2A (0.41) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20248870 0.86 ADORA2A (0.49) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20248908 0.84 ADORA1 (0.43) ADORA1CYP1A1CYP1B1DHODHALDH1A1
SCHEMBL20248871 0.83 ADORA2A (0.51) ADORA2AADORA1GGPS1CYP1A1CYP1B1
SCHEMBL20248903 0.83 ADORA1 (0.45) ADORA1ALDH1A1MAPTMEN1KMT2A

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-10347846-B2 Organic compound for organic EL device and using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-07-09 — — US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 — — US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 — — 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-10347846-B2 Organic compound for organic EL device and using the same L1CAM, ESR1, XPO4 ADORA2A 2256/4885ADORA1 912/4885GGPS1 4030/4885
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME L1CAM, ESR1, XPO4 ADORA2A 2256/4885ADORA1 912/4885GGPS1 4030/4885

“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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