SCHEMBL3775520

SCHEMBL3775520

OB(O)c1ccc2c(ccc3cc(-c4ccc5ccccc5c4)ccc32)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
ESR1 P03372 5/20 0.48
ESR2 Q92731 5/20 0.48
PLG P00747 1/20 0.48
F12 P00748 1/20 0.48
F11 P03951 1/20 0.48
KLKB1 P03952 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ALOX5 P09917 1/20 0.47
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
MGLL Q99685 2/20 0.44
GSTP1 P09211 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL3778895 0.98 CA1 (0.69) CA1CA2ESR1ESR2PLG
SCHEMBL13016336 0.95 CA1 (0.65) CA1CA2ESR1ESR2PLG
SCHEMBL3418284 0.93 CA1 (0.83) CA1CA2ESR1ESR2PLG
SCHEMBL30787956 0.93 CA1 (0.83) CA1CA2ESR1ESR2PLG
SCHEMBL12025738 0.91 CA1 (0.80) CA1CA2ESR1ESR2PLG
SCHEMBL26182867 0.89 MGLL (0.59) CA1CA2ESR1ESR2PLG
SCHEMBL1093598 0.87 CA1 (0.62) CA1CA2ESR1ESR2PLG
SCHEMBL28394087 0.86 CA1 (0.61) CA1CA2ESR1ESR2PLG
SCHEMBL20489328 0.86 CA1 (0.53) CA1CA2ESR1ESR2PLG
SCHEMBL9612410 0.85 CA1 (0.70) CA1CA2PLGF12F11

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-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

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 CA1 2652/4885CA2 2860/4885ESR1 44/4885

“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.