SCHEMBL18564938

SCHEMBL18564938

Cn1c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)cc2c2c3ccccc3ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.34
▸ TSPO P30536 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL18564935 0.96 TSPO (0.37) SLC2A1TSPONQO2CYP1A2CYP1A1
SCHEMBL18564960 0.96 TSPO (0.37) SLC2A1TSPONQO2CYP1A2CYP1A1
SCHEMBL18564827 0.95 SLC2A1 (0.35) SLC2A1TSPONQO2CYP1A2CYP1A1
SCHEMBL18564824 0.93 TSPO (0.39) SLC2A1TSPONQO2RXRARXRB
SCHEMBL18564878 0.93 TSPO (0.39) SLC2A1TSPONQO2RXRARXRB
SCHEMBL18564683 0.92 GPR3 (0.38) SLC2A1NQO2CYP1A2HPGDHSD17B10
SCHEMBL18564929 0.92 MAOB (0.36) TSPONQO2CYP1A2CYP1A1CYP1B1
SCHEMBL18564769 0.91 TSPO (0.38) SLC2A1TSPONQO2RXRARXRB
SCHEMBL18564862 0.91 TSPO (0.38) SLC2A1TSPONQO2RXRARXRB
SCHEMBL18564892 0.91 MAOB (0.40) TSPONQO2CYP1A2CYP1A1CYP1B1

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 SLC2A1 4679/4885TSPO 3292/4885NQO2 4146/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 SLC2A1 4679/4885TSPO 3292/4885NQO2 4146/4885

“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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