SCHEMBL3738239

SCHEMBL3738239

[c]1cc2c3ccccc3c(-c3ccccc3)cc2c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
CYP11B1 P15538 1/20 0.32
PARP1 P09874 1/20 0.32
ACACA Q13085 1/20 0.31
EGFR P00533 1/20 0.31
ALOX5 P09917 1/20 0.31
BRD4 O60885 1/20 0.30
ACHE P22303 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
SCHEMBL9957631 0.83 METAP2 (0.37) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL5806181 0.80 CA12 (0.36) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL578709 0.79 CYP2A6 (0.32) ALDH1A1HSD17B10
SCHEMBL3801702 0.79 ALDH1A1 (0.52) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4014649 0.76 CYP11B1 (0.36) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL27368217 0.75 ALDH1A1 (0.48) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL9957998 0.73 HPGD (0.40) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL28965042 0.72 PDCD1 (0.39) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL6724150 0.71 HSD17B1 (0.40) PARP1
SCHEMBL2409141 0.71 HPRT1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217570-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-07-10 US disclosed
US-7833632-B2 Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-16 US disclosed
EP-1734038-B1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO (JP) 2009-11-04 EP disclosed
US-20080111473-A1 Anthracene Derivative and Organic Electroluminescent Element Using the Same IDEMITSU KOSAN CO., LTD. (JP) 2008-05-15 US disclosed
US-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same IDEMITSU KASON CO.LTD (JP) 2007-08-30 US disclosed
EP-1734038-A1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-12-20 EP 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-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same RPS3A, NCOA3, HNRNPA0 HPGD 2434/4885KDM4E 2027/4885MEN1 2041/4885

“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.