SCHEMBL3684409

SCHEMBL3684409

Brc1ccc2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)ccc4ccc1c2c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL3681221 1.00 CYP1A2 (0.47) CYP1A2CA12CA1CA2CA9
SCHEMBL3686039 0.92 CYP1A2 (0.51) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL3683915 0.92 CYP1A2 (0.51) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL29949905 0.92 CYP1A2 (0.51) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL1655376 0.90 CYP1A2 (0.52) CYP1A2CA12CA1CA2CA9
SCHEMBL3687052 0.88 ALDH1A1 (0.50) CYP1A2CA12CA1CA2CA9
SCHEMBL17940742 0.87 HDAC8 (0.45) CYP1A2CA12CA1CA2CA9
SCHEMBL16792034 0.84 CA12 (0.53) CYP1A2CA12CA1CA2CA9
SCHEMBL2293036 0.84 ALDH1A1 (0.43) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL2292638 0.84 ALDH1A1 (0.43) CYP1A2ALDH1A1THRBHPGDHSD17B10

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
CN-103709180-B Containing the condensed-nuclei aromatics derivant of imidazo [1,2-a] pyridine groups and the application in OLED thereof 昆山维信诺显示技术有限公司 2016-12-21 CN disclosed
CN-103709180-A Polycyclic aromatic hydrocarbon derivatives containing imidazoxy [1,2, a] pyridyl group and their use in OLED KUNSHAN VISIONOX DISPLAY TECH 2014-04-09 CN disclosed
US-8318995-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 US disclosed
US-7763761-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-07-27 US disclosed
EP-1749809-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-07 EP disclosed
US-20060154107-A1 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 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 (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-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME ESR1, EBPL, JUP CYP1A2 169/4885CA12 3619/4885CA1 3383/4885

“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.