SCHEMBL1234940

SCHEMBL1234940

[c]1c2c(cc3ccccc13)-c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
HIF1A Q16665 2/20 0.37
TP53 P04637 1/20 0.37
CASP7 P55210 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL668564 0.83 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL667985 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDL3MBTL1ATM
SCHEMBL668633 0.79 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL4988485 0.75 PIM1 (0.43) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL669474 0.75 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL11837610 0.75 CYP2A6 (0.50) ALDH1A1HPGDTP53L3MBTL1ATM
SCHEMBL7412055 0.75 GSK3B (0.43) ALDH1A1MAPK1HPGDCASP7
SCHEMBL4014642 0.75 GSTP1 (0.48) ALDH1A1HPGD
SCHEMBL6400913 0.74 ESR2 (0.44) ALDH1A1HPGDL3MBTL1
SCHEMBL4808028 0.74 MEN1 (0.45) ALDH1A1TSHRHSD17B10HPGDL3MBTL1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101939279-A Novel materials for organic electroluminescent devices MERCK PATENT GMBH 2011-01-05 CN claimed
US-10636990-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2020-04-28 US disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-9735385-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
CN-106058064-A Organic electroluminescent device 默克专利有限公司 2016-10-26 CN disclosed
CN-103765623-B Organic electroluminescence device MERCK PATENT GMBH (DE) 2016-06-01 CN disclosed
US-9246118-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-01-26 US disclosed
CN-102471191-B Novel materials for organic electroluminescent devices MERCK PATENT GMBH 2015-05-20 CN disclosed
US-20120267617-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-10-25 US disclosed
US-20120168735-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-07-05 US disclosed
CN-102498587-A Organic electroluminescent device MERCK PATENT GMBH 2012-06-13 CN disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
CN-102471191-A Novel materials for organic electroluminescent devices MERCK PATENT GMBH 2012-05-23 CN disclosed
WO-2011035835-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2011-03-31 WO disclosed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 WO disclosed
CN-101939279-A Novel materials for organic electroluminescent devices MERCK PATENT GMBH 2011-01-05 CN disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
CN-101679855-A The novel material that is used for organic electroluminescence device MERCK PATENT GMBH 2010-03-24 CN 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 (2 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 ALDH1A1 26/4885TSHR 4228/4885MAPK1 458/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 ALDH1A1 507/4885TSHR 4783/4885MAPK1 1674/4885

“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.