SCHEMBL17853592

SCHEMBL17853592

c1ccc2c(c1)-c1cccc3c(-c4nc(-c5ccc(-c6ccncc6)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)ccc-2c13

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.37
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ HPGD P15428 5/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ HSP90AA1 P07900 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
SCHEMBL24812007 0.91 KDM4E (0.41) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17853571 0.90 MAPT (0.43) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17853593 0.89 DHODH (0.41) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17853587 0.89 MAPT (0.40) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17853590 0.88 MAPT (0.40) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL19168355 0.85 ALDH1A1 (0.48) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17853600 0.84 CYP1A2 (0.41) DHODHMAPTALDH1A1KDM4EKMT2A
SCHEMBL17853581 0.82 DHODH (0.39) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL17853567 0.82 MAPT (0.45) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL19397645 0.82 MAPT (0.45) DHODHMAPTALDH1A1KDM4EHPGD

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 DHODH 3921/4885MAPT 2833/4885ALDH1A1 408/4885

“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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