SCHEMBL17853641

SCHEMBL17853641

Cc1cc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)ccc1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ CYP11B2 P19099 1/20 0.37

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
SCHEMBL17853496 0.93 MAPT (0.43) SLC2A1MAPTLMNAHTTKDM4E
SCHEMBL17853617 0.88 CYP11B1 (0.42) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL17853620 0.86 CYP11B1 (0.42) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL17853612 0.86 DHODH (0.48) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL17853603 0.86 DHODH (0.48) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL19397671 0.86 DHODH (0.48) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL17853615 0.85 MAPK14 (0.42) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL17853621 0.85 KMO (0.42) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL25768841 0.84 CYP19A1 (0.51) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL17853639 0.83 DHODH (0.51) MAPTLMNAKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 SLC2A1 3539/4885MAPT 2833/4885LMNA 2198/4885

“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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