SCHEMBL18564683

SCHEMBL18564683

Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2c3ccccc3ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 4/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ TERT O14746 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33

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
SCHEMBL18565032 0.96 KDM4E (0.35) GPR3NQO2KDM4EMAPTHTT
SCHEMBL18564827 0.95 SLC2A1 (0.35) GPR3NQO2KDM4EMAPTHTT
SCHEMBL18564938 0.92 SLC2A1 (0.34) GPR3NQO2KDM4EMAPTHTT
SCHEMBL18564862 0.91 TSPO (0.38) GPR3NQO2KDM4EMAPTHTT
SCHEMBL18564769 0.91 TSPO (0.38) GPR3NQO2KDM4EMAPTHTT
SCHEMBL18564817 0.90 NQO2 (0.37) GPR3NQO2KDM4EMAPTALDH1A1
SCHEMBL18564878 0.89 TSPO (0.39) GPR3NQO2KDM4EHPGDKMT2A
SCHEMBL18564824 0.89 TSPO (0.39) GPR3NQO2KDM4EHPGDKMT2A
SCHEMBL18565040 0.89 TSPO (0.35) GPR3NQO2KDM4EMAPTHTT
SCHEMBL18564960 0.89 TSPO (0.37) GPR3NQO2KDM4EMAPTHTT

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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 — — US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 — — US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 — — 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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 GPR3 3915/4885NQO2 4146/4885KDM4E 225/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 GPR3 3915/4885NQO2 4146/4885KDM4E 225/4885

“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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