SCHEMBL19903639

SCHEMBL19903639

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.41
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
RORC P51449 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
MAT2A P31153 2/20 0.31
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
TACR1 P25103 3/20 0.31
XDH P47989 1/20 0.30
TRPA1 O75762 1/20 0.30
GRM5 P41594 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
SCHEMBL22564464 0.98 KIF11 (0.41) KIF11RXRARXRGPPARGPPARA
SCHEMBL19903636 0.95 KIF11 (0.37) KIF11RXRARXRGPPARGPPARA
SCHEMBL19918015 0.94 KIF11 (0.36) KIF11RXRARXRGTAS2R14MAT2A
SCHEMBL19912466 0.94 KIF11 (0.39) KIF11RXRARXRGPPARGPPARA
SCHEMBL19903689 0.93 KIF11 (0.45) KIF11RXRARXRGPPARGPPARA
SCHEMBL22564465 0.93 KIF11 (0.37) KIF11RXRARXRGPPARGPPARA
SCHEMBL22822244 0.92 RXRA (0.39) KIF11RXRARXRGTAS2R14MAT2A
SCHEMBL22564389 0.91 KIF11 (0.45) KIF11RXRARXRGPPARGPPARA
SCHEMBL21414230 0.90 KIF11 (0.36) KIF11RORC
SCHEMBL24002968 0.90 RXRA (0.39) KIF11RXRARXRGTAS2R14TACR1

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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 KIF11 3253/4885RXRA 3779/4885RXRG 3669/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885RXRA 3635/4885RXRG 3474/4885

“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.