SCHEMBL10025827

SCHEMBL10025827

c1ccc2ccc3ccccc3c3ccc(c4ccccc4ccc2c1)c1nc2ccccc2nc31

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.59
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 3/20 0.57
TSHR P16473 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP2A6 P11509 1/20 0.57
MYC P01106 1/20 0.53
MAX P61244 1/20 0.53
CYP3A4 P08684 2/20 0.48
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAPK10 P53779 2/20 0.47
RIPK1 Q13546 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GPR3 P46089 1/20 0.46
MAPT P10636 4/20 0.46
MAOA P21397 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 2/20 0.44

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
SCHEMBL1999097 0.87 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL7912388 0.85 MAPT (0.56) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL29581869 0.85 MAPT (0.56) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL732274 0.85 MAPT (0.56) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL4702826 0.85 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL10603701 0.82 MYC (0.54) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29392770 0.82 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL28225171 0.82 ALDH1A1 (0.75) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18805402 0.80 MYC (0.52) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL13292931 0.79 ALDH1A1 (0.58) HPRT1ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859005-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR HPRT1 606/4885ALDH1A1 1325/4885HSD17B10 3627/4885

“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.