SCHEMBL2472033

SCHEMBL2472033

Brc1ccc2oc3ccc(-c4ccc5ccccc5c4)cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
GABRP O00591 4/20 0.45
GABRD O14764 4/20 0.45
GABRA1 P14867 4/20 0.45
GABRB1 P18505 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRA4 P48169 4/20 0.45
GABRE P78334 4/20 0.45
GABRA6 Q16445 4/20 0.45
GABRG1 Q8N1C3 4/20 0.45
GABRG3 Q99928 4/20 0.45
GABRQ Q9UN88 4/20 0.45
MAOB P27338 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
ESR1 P03372 1/20 0.42

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
SCHEMBL19152584 0.92 CYP2A6 (0.47) CYP2A6GABRPGABRDGABRA1GABRB1
SCHEMBL21888017 0.92 CYP2A6 (0.47) CYP2A6GABRPGABRDGABRA1GABRB1
SCHEMBL13979519 0.89 ESR1 (0.50) ESR1ESR2CYP11B1CYP11B2ALOX5
SCHEMBL12037403 0.89 ESR1 (0.50) ESR1ESR2CYP11B1CYP11B2ALOX5
SCHEMBL16773307 0.89 KDM4E (0.46) CYP2A6GABRPGABRDGABRA1GABRB1
SCHEMBL2474976 0.89 NPC1 (0.46) CYP2A6GABRPGABRDGABRA1GABRB1
SCHEMBL12024491 0.88 ESR1 (0.48) ESR1ESR2CYP11B1CYP11B2ALOX5
SCHEMBL12024529 0.88 ESR1 (0.48) ESR1ESR2CYP11B1CYP11B2ALOX5
SCHEMBL1636828 0.86 ESR1 (0.47) ESR1ESR2CYP11B1CYP11B2ALOX5
SCHEMBL1636936 0.86 ESR1 (0.47) ESR1ESR2CYP11B1CYP11B2ALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2713415-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2018-12-19 EP disclosed
US-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 US disclosed
US-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 US disclosed
US-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 US disclosed
CN-102265424-A Material for organic electroluminescent element and organic electroluminescent element 2011-11-30 CN disclosed
EP-2372803-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2011-10-05 EP 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 (1 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-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, TERF2, BPTF CYP2A6 3921/4885GABRP 4512/4885GABRD 3374/4885

“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.