SCHEMBL18565459

SCHEMBL18565459

Cn1c2ccc(-c3ccc4c5ccccc5p(-c5ccccc5)c4c3)cc2c2c3ccccc3ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ PTGES O14684 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAOB P27338 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 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
SCHEMBL18565457 0.93 RXRA (0.36) NQO2RXRARXRBCYP3A4HPGD
SCHEMBL18565426 0.86 RXRA (0.38) RXRARXRBGPR3KDM4EHPGD
SCHEMBL18565462 0.85 NQO2 (0.30) NQO2RXRARXRBPTGES
SCHEMBL18565391 0.85 KDM4E (0.43) RXRARXRBGPR3KDM4EHPGD
SCHEMBL18565458 0.84 MAOB (0.31) MAOB
SCHEMBL18565490 0.82 KDM4E (0.34) RXRARXRBKDM4EMAPTMAOB
SCHEMBL18565394 0.81 RXRA (0.50) RXRARXRBGPR3KDM4EHPGD
SCHEMBL23348105 0.81 RXRA (0.42) NQO2RXRARXRBPTGESGPR3
SCHEMBL18565429 0.80 RXRA (0.41) RXRARXRBGPR3KDM4EHPGD
SCHEMBL18565431 0.79 RXRA (0.32) RXRARXRBKDM4EHPGDALDH1A1

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 NQO2 4146/4885RXRA 4249/4885RXRB 4487/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 NQO2 4146/4885RXRA 4249/4885RXRB 4487/4885

“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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