SCHEMBL3776944

SCHEMBL3776944

Brc1ccc2c(ccc3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.65
ESR1 P03372 5/20 0.52
ESR2 Q92731 5/20 0.52
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
ALOX5 P09917 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GSTP1 P09211 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL3777189 0.98 CYP2A6 (0.68) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL3781755 0.93 CYP2A6 (0.61) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL1527484 0.92 CYP2A6 (0.59) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL12192925 0.92 CYP2A6 (0.77) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL5051749 0.91 CYP2A6 (0.57) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL21124585 0.90 ALDH1A1 (0.54) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL429115 0.90 CYP2A6 (0.81) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL5008781 0.90 CYP2A6 (0.81) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL29541186 0.90 CYP2A6 (0.81) CYP2A6ESR1ESR2CYP11B1CYP11B2
SCHEMBL16706024 0.89 ALDH1A1 (0.52) CYP2A6ESR1ESR2CYP11B1CYP11B2

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 8 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-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
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331585-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 (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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT NR2E1, AR, ELP1 CYP2A6 1185/4885ESR1 25/4885ESR2 6/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 CYP2A6 1715/4885ESR1 44/4885ESR2 25/4885

“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.