SCHEMBL17904080

SCHEMBL17904080

CN(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1cccc(N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CHKA P35790 3/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ NR3C2 P08235 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
SCHEMBL10112123 0.98 CHKA (0.44) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL17904079 0.96 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14466333 0.90 CHKA (0.44) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL10042861 0.88 CSF1R (0.41) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14466359 0.88 CHKA (0.43) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14465442 0.88 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL12258323 0.87 CHKA (0.50) ALDH1A1CHKAMEN1KMT2AHTT
SCHEMBL12936130 0.87 ALDH1A1 (0.55) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL5858491 0.87 ALDH1A1 (0.55) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14465448 0.87 L3MBTL1 (0.40) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2

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-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound IDEMITSU KOSAN CO., LTD. (JP) 2018-07-24 — — US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 — — 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 (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-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND LEF1, L1CAM, OLA1 ALDH1A1 66/4885L3MBTL1 96/4885TDP1 2015/4885
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound LEF1, L1CAM, OLA1 ALDH1A1 66/4885L3MBTL1 96/4885TDP1 2015/4885

“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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