SCHEMBL4440788

SCHEMBL4440788

FC(F)(F)c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38

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
SCHEMBL4444795 0.93 KIF11 (0.43) KIF11ENPP1TOP1JAK2CYP2C8
SCHEMBL15945783 0.90 KIF11 (0.57) KIF11ALDH1A1MEN1MAPTKMT2A
SCHEMBL18253790 0.89 SCN9A (0.38) KIF11ALDH1A1MEN1GAAMAPT
SCHEMBL14241182 0.87 CYP1A2 (0.43) KIF11ALDH1A1MEN1GAAMAPT
SCHEMBL15947775 0.86 PSEN1 (0.39) KIF11TOP1CYP2C8PSEN1PSEN2
SCHEMBL29512003 0.85 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL2122937 0.85 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL29547734 0.85 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL15945788 0.85 KDM1A (0.42) KIF11MAPTENPP1CYP1A1CYP1B1
SCHEMBL24604991 0.85 KIF11 (0.40) KIF11ALDH1A1MEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 — — US disclosed
US-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same PIONEER CORPORATION (JP) 2008-05-08 — — US disclosed
EP-1816114-A1 PYRENE COMPOUND AND LIGHT EMITTING TRANSISTOR DEVICE UTILIZING THE SAME Rohm Co., Ltd. (JP) 2007-08-08 — — 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 (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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP KIF11 3601/4885ALDH1A1 2077/4885MEN1 2226/4885
US-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same CYP1A1, SULT1A1, SULT1E1 KIF11 3868/4885ALDH1A1 318/4885MEN1 1891/4885

“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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