SCHEMBL21116889

SCHEMBL21116889

FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)c(-n4c5ccccc5c5cc(-c6ccc(C(F)(F)F)cc6)ccc54)c3)ccc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.41
HSP90AA1 P07900 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 1/20 0.35
CYP3A7 P24462 1/20 0.35
CYP2F1 P24903 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2J2 P51589 1/20 0.35
CYP4F2 P78329 1/20 0.35

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
SCHEMBL21116900 0.93 KIF11 (0.46) KIF11HSP90AA1CYP1A2CYP3A4CYP2C9
SCHEMBL21116891 0.93 KIF11 (0.39) KIF11HSP90AA1CYP1A2CYP3A4CYP2C9
SCHEMBL21116538 0.92 KIF11 (0.44) KIF11HSP90AA1CYP1A2CYP3A4CYP2C9
SCHEMBL21116344 0.92 TSPO (0.40) KIF11KDM4EATML3MBTL1TSPO
SCHEMBL21116285 0.91 ICMT (0.39) KIF11HSP90AA1KDM4EATML3MBTL1
SCHEMBL21116281 0.89 KIF11 (0.40) KIF11HSP90AA1CYP1A2CYP3A4CYP2C9
SCHEMBL21116268 0.88 KIF11 (0.40) KIF11HSP90AA1KDM4EATML3MBTL1
SCHEMBL10090573 0.88 KIF11 (0.40) KIF11HSP90AA1KDM4EATML3MBTL1
SCHEMBL17950236 0.88 KIF11 (0.46) KIF11HSP90AA1CYP1A2CYP3A4CYP2C9
SCHEMBL21116535 0.88 KIF11 (0.52) KIF11HSP90AA1CYP1A2CYP3A4CYP2C9

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 KIF11 3544/4885HSP90AA1 4802/4885CYP1A2 2697/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885HSP90AA1 4787/4885CYP1A2 2654/4885

“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.