SCHEMBL21116255

SCHEMBL21116255

CC(C)c1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6ccccc6c6ccc(C(C)(C)C)cc65)c4)ccc3C(F)(F)F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.39
PPARG P37231 4/20 0.36
PTPN5 P54829 4/20 0.34
PPARA Q07869 1/20 0.31
NPY5R Q15761 1/20 0.30
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 1/20 0.30

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
SCHEMBL21116268 0.85 KIF11 (0.40) KIF11PPARGPPARANPY5RRORA
SCHEMBL10090573 0.85 KIF11 (0.40) KIF11PPARGPPARANPY5RRORA
SCHEMBL21116258 0.85 KIF11 (0.40) KIF11
SCHEMBL21116535 0.83 KIF11 (0.52) KIF11PPARGPPARA
SCHEMBL10090543 0.80 KIF11 (0.36) KIF11PPARGPPARANPY5RRORA
SCHEMBL21116538 0.79 KIF11 (0.44) KIF11PPARGPPARA
SCHEMBL19953880 0.79 KIF11 (0.37) KIF11PPARGRORARORCRORB
SCHEMBL20052627 0.78 PPARG (0.40) KIF11PPARGPTPN5PPARA
SCHEMBL21116900 0.78 KIF11 (0.46) KIF11PPARGPPARANPY5R
SCHEMBL26180242 0.78 PPARG (0.44) KIF11PPARGPPARARORARORC

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 2 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
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 3544/4885PPARG 3493/4885PTPN5 2951/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885PPARG 3659/4885PTPN5 2989/4885

“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.