SCHEMBL18057889

SCHEMBL18057889

c1ccc(-c2nc(-n3c4ccccc4c4c5c(nc(-c6ccccc6)n5-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 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
SCHEMBL18057749 0.87 L3MBTL1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18057698 0.86 KDM4E (0.36) ALDH1A1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL19988751 0.86 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17427587 0.86 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18057880 0.85 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19997991 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22199819 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17451719 0.84 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16352564 0.84 L3MBTL1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16352556 0.83 PI4KA (0.36) ALDH1A1KDM4EMAPTNPSR1L3MBTL1

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-10680183-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-09 — — US disclosed
US-20160260909-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-08 — — US disclosed
US-20160260909-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-08 — — 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-10680183-B2 Organic electroluminescent materials and devices PNMT, CYCS, NES ALDH1A1 3613/4885HPGD 3648/4885KDM4E 2235/4885
US-20160260909-A1 Organic Electroluminescent Materials and Devices PNMT, CYCS, NES ALDH1A1 3613/4885HPGD 3648/4885KDM4E 2235/4885

“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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