SCHEMBL22739431

SCHEMBL22739431

CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(ccc4c5cc6oc7c8ccc(N(c9ccc(C(C)C)cc9)c9ccc(C(C)C)cc9)cc8ccc7c6cc5oc34)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.33
▸ IGLV6-57 P01721 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TNKS O95271 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL22742200 0.96 TBK1 (0.32) TBK1IGLV6-57
SCHEMBL22742443 0.95 UGT2B7 (0.35) TBK1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL22742485 0.94 CYP1A1 (0.31) TBK1CYP1A2MAPT
SCHEMBL22739658 0.94 TBK1 (0.30) TBK1
SCHEMBL22741778 0.93 IGLV6-57 (0.30) IGLV6-57
SCHEMBL22739354 0.91 UGT2B7 (0.34) TBK1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL22742482 0.91 KDM4E (0.31) KDM4EMEN1MAPTKMT2A
SCHEMBL22742446 0.90 — —
SCHEMBL22742277 0.90 TBK1 (0.32) TBK1TNKSPARP1TNKS2HDAC6
SCHEMBL22739377 0.89 TBK1 (0.35) TBK1KDM4EMEN1ALDH1A1CYP1A2

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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-03 — — 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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, LEF1 TBK1 3193/4885IGLV6-57 2357/4885KDM4E 3079/4885

“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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