SCHEMBL3286259

SCHEMBL3286259

Cc1cc(Br)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.33
NR1I2 O75469 1/20 0.31
HTR1D P28221 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
SCHEMBL243599 0.90 NR1I2 (0.34) NR1I2
SCHEMBL18094450 0.88 TSHR (0.41) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL19157031 0.82 NR1I2 (0.31) NR1I2
SCHEMBL242040 0.81 CYP1A2 (0.36) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29773086 0.81 CYP1A2 (0.36) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL1705445 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL3284601 0.80 TDO2 (0.34) L3MBTL1POLBNR1I2
SCHEMBL4141727 0.79 TSHR (0.34) ALDH1A1TSHR
SCHEMBL17083625 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL4141419 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 EP disclosed
EP-1942171-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2018-04-18 EP disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 US disclosed
US-8610345-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2013-12-17 US disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
US-7709104-B2 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP disclosed
US-20070155998-A1 FLUORENYLENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 2007-07-05 US disclosed
US-20060115678-A1 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2006-06-01 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 (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-20070155998-A1 FLUORENYLENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LEF1, CRY1, AFF1 ALDH1A1 172/4885CYP3A4 162/4885HPGD 3121/4885
US-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 ALDH1A1 1929/4885CYP3A4 323/4885HPGD 3235/4885
US-20060115678-A1 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device ALAD, PAH, PPOX ALDH1A1 697/4885CYP3A4 31/4885HPGD 1086/4885

“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.