SCHEMBL17853581

SCHEMBL17853581

c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n1)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ ATM Q13315 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
SCHEMBL17943368 0.91 KDM4E (0.40) CYP11B1MAPTKDM4EALDH1A1HPGD
SCHEMBL24810936 0.90 L3MBTL1 (0.45) CYP11B1MAPTKDM4EALDH1A1HPGD
SCHEMBL17853586 0.89 CYP11B1 (0.53) DHODHCYP11B1MAPTKDM4EALDH1A1
SCHEMBL17853571 0.88 MAPT (0.43) DHODHMAPTKDM4EALDH1A1HPGD
SCHEMBL15887905 0.88 KDM4E (0.39) CYP11B1MAPTKDM4EALDH1A1HPGD
SCHEMBL17853582 0.87 MAPT (0.42) DHODHCYP11B1MAPTKDM4EALDH1A1
SCHEMBL17853574 0.86 DHODH (0.40) DHODHMAPTKDM4EALDH1A1HPGD
SCHEMBL17853588 0.85 DHODH (0.40) DHODHMAPTKDM4EALDH1A1HPGD
SCHEMBL17853562 0.85 MAPT (0.45) DHODHMAPTKDM4EALDH1A1HPGD
SCHEMBL19397645 0.85 MAPT (0.45) DHODHMAPTKDM4EALDH1A1HPGD

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 1 patent. 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

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 3921/4885CYP11B1 2679/4885MAPT 2833/4885

“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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