SCHEMBL19953880

SCHEMBL19953880

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.37
HTR1D P28221 1/20 0.35
PPARG P37231 2/20 0.33
ICMT O60725 1/20 0.33
RAPGEF3 O95398 2/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNMA1 Q12791 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 0.93 KIF11 (0.40) KIF11PPARGHSD11B1HSP90AA1PGR
SCHEMBL10090573 0.93 KIF11 (0.40) KIF11PPARGHSD11B1HSP90AA1PGR
SCHEMBL21116901 0.91 HSP90AA1 (0.40) KIF11MEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL21116258 0.90 KIF11 (0.40) KIF11ICMTHSD11B1TRPV1SCN5A
SCHEMBL10090543 0.88 KIF11 (0.36) KIF11PPARGHSD11B1HSP90AA1MAPT
SCHEMBL21116891 0.86 KIF11 (0.39) KIF11MEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL21116900 0.84 KIF11 (0.46) KIF11PPARGMEN1CYP1A2HSP90AA1
SCHEMBL21116561 0.82 ICMT (0.38) KIF11ICMTMEN1CYP1A2HSP90AA1
SCHEMBL21116282 0.80 FEN1 (0.43) MEN1CYP1A2HSP90AA1CYP3A4MAPT
SCHEMBL21116348 0.80 KIF11 (0.39) KIF11

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 5 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
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 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 3544/4885HTR1D 1904/4885PPARG 3493/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885HTR1D 1659/4885PPARG 3659/4885

“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.