SCHEMBL2542876

SCHEMBL2542876

OB(O)c1ccc2ccc3cc4ccccc4cc3c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 3/20 0.52
HIF1A Q16665 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ENPP2 Q13822 6/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8781477 0.91 CA1 (0.66) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL9612410 0.90 CA1 (0.70) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL1527433 0.88 CA1 (0.65) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL29465865 0.88 CA1 (0.65) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL31139487 0.85 CA2 (0.58) CA1CA2ALDH1A1ENPP2MGLL
SCHEMBL31286354 0.84 CA1 (0.61) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL28667450 0.84 CA1 (0.61) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL25608385 0.84 CA1 (0.61) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL21352794 0.83 CA1 (0.86) CA1CA2ALDH1A1HSD17B10HIF1A
SCHEMBL29952033 0.83 CA1 (0.86) CA1CA2ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796684-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-20130032764-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2013-02-07 US disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
WO-2011120626-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-10-06 WO disclosed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 WO disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 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 (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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 CA1 3949/4885CA2 2756/4885ALDH1A1 26/4885
US-20130032764-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TYMS, TYMP, NUDT1 CA1 4682/4885CA2 4391/4885ALDH1A1 407/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 CA1 3604/4885CA2 3219/4885ALDH1A1 507/4885

“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.