SCHEMBL13016366

SCHEMBL13016366

Brc1ccccc1-c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
PPARG P37231 7/20 0.44
PPARA Q07869 7/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
PPARD Q03181 1/20 0.44
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
CYP1A2 P05177 1/20 0.43
TNF P01375 1/20 0.43
CHRNB4 P30926 1/20 0.42

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
SCHEMBL31123431 0.88 CA12 (0.50) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL3798335 0.87 CA12 (0.62) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL191382 0.85 HDAC8 (0.56) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL29441251 0.85 HDAC8 (0.56) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL29634644 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL365314 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL30122908 0.84 CA12 (0.66) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL16792034 0.84 CA12 (0.53) CA12CA1CA2CA9HDAC8
SCHEMBL21037631 0.83 CA12 (0.51) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL29490135 0.83 CA12 (0.56) ALDH1A1MAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 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-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 ALDH1A1 1250/4885MAPK1 1074/4885CA12 3124/4885

“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.