SCHEMBL4151318

SCHEMBL4151318

CC(C)(C)c1cc(Br)c2cc(C(C)(C)C)cc(Br)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 4/20 0.42
ALOX15 P16050 3/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
POLB P06746 1/20 0.39
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL27934028 0.82 GABRA1 (0.37) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL22225306 0.80 APEX1 (0.45) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL12657286 0.79 HIF1A (0.37) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL29732382 0.79 HIF1A (0.37) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL16153286 0.79 GABRA1 (0.34) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL13945808 0.78 HIF1A (0.42) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL14410282 0.78 POLB (0.44) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL21115279 0.77 HIF1A (0.36) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL7526199 0.77 NR1I2 (0.42) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL21309542 0.76 CHEK1 (0.43) HIF1ACYP2C19CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981993-B1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KK (JP) 2022-05-11 EP disclosed
US-9911921-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2018-03-06 US disclosed
US-20150372238-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2015-12-24 US disclosed
US-8946984-B2 Electroluminescent device BASF SE (DE) 2015-02-03 US disclosed
WO-2014163211-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2014-10-09 WO disclosed
US-20140217335-A1 Electroluminescent Device BASF SE (DE) 2014-08-07 US disclosed
US-8735610-B2 Electroluminescent device BASF SE (DE) 2014-05-27 US disclosed
US-8614009-B2 Aromatic amine derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-12-24 US disclosed
US-20090131673-A1 Electroluminescent Device UDC IRELAND LIMITED (IE) 2009-05-21 US disclosed
US-20090072716-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-19 US disclosed
EP-1876165-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-01-09 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 (3 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-20150372238-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE ORC3, AOC3, EML4 HIF1A 4071/4885CYP2C19 1050/4885CYP2C9 1022/4885
US-20090131673-A1 Electroluminescent Device DDT, CD99, EED HIF1A 4875/4885CYP2C19 752/4885CYP2C9 464/4885
US-20090072716-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME TYR, MAOA, AOC2 HIF1A 4502/4885CYP2C19 1662/4885CYP2C9 1834/4885

“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.