SCHEMBL18563989

SCHEMBL18563989

Cn1c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)cc2c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ ATM Q13315 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GPR3 P46089 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL18566105 1.00 RXRA (0.47) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL18563992 1.00 RXRA (0.47) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL21030569 1.00 RXRA (0.47) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL18563999 1.00 RXRA (0.47) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL18566272 1.00 RXRA (0.47) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL18566269 0.96 KDM4E (0.50) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL21030551 0.96 KDM4E (0.50) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL21030897 0.96 KDM4E (0.50) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL18563939 0.93 KDM4E (0.53) RXRARXRBKDM4EL3MBTL1ATM
SCHEMBL18563961 0.93 KDM4E (0.53) RXRARXRBKDM4EL3MBTL1ATM

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 RXRA 4249/4885RXRB 4487/4885KDM4E 225/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 RXRA 4249/4885RXRB 4487/4885KDM4E 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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