SCHEMBL12197224

SCHEMBL12197224

FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3c2ccc2c4ccccc4ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.42
▸ KIF11 P52732 2/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ TNKS O95271 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ CYP1A2 P05177 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL25753300 0.85 HPRT1 (0.42) HPRT1KIF11ESR1TNKSWNT3A
SCHEMBL13147518 0.84 ESR1 (0.45) HPRT1KIF11ESR1TNKSWNT3A
SCHEMBL27214763 0.80 KIF11 (0.62) KIF11ESR1TNKSWNT3ATNKS2
SCHEMBL22993384 0.78 KIF11 (0.44) KIF11ESR1TNKSWNT3ATNKS2
SCHEMBL15004495 0.78 ESR1 (0.45) KIF11ESR1TNKSWNT3ATNKS2
SCHEMBL12473663 0.78 KIF11 (0.52) HPRT1KIF11TNKSWNT3ATNKS2
SCHEMBL22978396 0.78 ESR1 (0.50) KIF11ESR1TNKSWNT3ATNKS2
SCHEMBL24604987 0.77 ESR1 (0.44) KIF11ESR1TNKSWNT3ATNKS2
SCHEMBL22927701 0.77 HPRT1 (0.44) HPRT1ESR1CYP1A2ALDH1A1HSD17B10
SCHEMBL24604991 0.77 KIF11 (0.40) KIF11ESR1TNKSWNT3ATNKS2

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-8771842-B2 Benzo[b]chrysene compound and organic light-emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-07-08 — — US disclosed
US-8771842-B2 Benzo[b]chrysene compound and organic light-emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-07-08 — — US disclosed
US-20110240974-A1 NOVEL BENZO[b]CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 — — US disclosed
US-20110240974-A1 NOVEL BENZO[b]CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 — — 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-20110240974-A1 NOVEL BENZO[b]CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME AHR, NR0B2, NR0B1 HPRT1 1390/4885KIF11 3725/4885ESR1 15/4885

“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.

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