SCHEMBL15322285

SCHEMBL15322285

Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2ccc3ccccc3c2Oc2c1ccc1ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 5/20 0.33
DHFR P00374 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HCRTR1 O43613 1/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
AHR P35869 1/20 0.32
HSD17B10 Q99714 3/20 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
SCHEMBL20926267 0.96 PDK2 (0.40) CYP2A6PDK2ALDH1A1DHFRKDM4E
SCHEMBL20926273 0.89 CYP2A6 (0.36) CYP2A6PDK2ALDH1A1KDM4EMAPT
SCHEMBL23273215 0.88 PDK2 (0.37) CYP2A6PDK2ALDH1A1HPGDCYP1A2
SCHEMBL20222320 0.88 PDK2 (0.37) CYP2A6PDK2ALDH1A1HPGDCYP1A2
SCHEMBL30803800 0.88 PDK2 (0.37) CYP2A6PDK2ALDH1A1HPGDCYP1A2
SCHEMBL20222319 0.87 PDK2 (0.36) CYP2A6PDK2ALDH1A1HPGDCYP1A2
SCHEMBL25883223 0.86 PDK2 (0.36) CYP2A6PDK2AHR
SCHEMBL22337257 0.85 PDK2 (0.36) CYP2A6PDK2ALDH1A1HPGDCYP1A2
SCHEMBL22337131 0.83 AHR (0.35) CYP2A6PDK2ALDH1A1HPGDCYP1A2
SCHEMBL16674461 0.81 GPR84 (0.37) ALDH1A1DHFRKDM4EMAPTHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019078701-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
EP-2834321-B1 USE OF A SEMICONDUCTING COMPOUND IN AN ORGANIC LIGHT EMITTING DEVICE NOVALED GMBH (DE) 2017-05-17 EP disclosed
US-20150115241-A1 Use of a Semiconducting Compound in an Organic Light Emitting Device NOVALED GMBH (DE) 2015-04-30 US disclosed
US-20150115241-A1 Use of a Semiconducting Compound in an Organic Light Emitting Device NOVALED GMBH (DE) 2015-04-30 US disclosed
US-20150115241-A1 Use of a Semiconducting Compound in an Organic Light Emitting Device NOVALED GMBH (DE) 2015-04-30 US disclosed
EP-2834321-A1 USE OF A SEMICONDUCTING COMPOUND IN AN ORGANIC LIGHT EMITTING DEVICE Novaled GmbH (DE) 2015-02-11 EP disclosed
WO-2013149958-A1 USE OF A SEMICONDUCTING COMPOUND IN AN ORGANIC LIGHT EMITTING DEVICE NOVALED AG (DE) 2013-10-10 WO 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-20150115241-A1 Use of a Semiconducting Compound in an Organic Light Emitting Device SLC18A3, XPOT, SLC18A2 CYP2A6 458/4885PDK2 1675/4885ALDH1A1 1719/4885

“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.