SCHEMBL19909449

SCHEMBL19909449

N#Cc1c(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(-c2ccncc2)cc1-n1c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
RXRA P19793 2/20 0.36
RXRG P48443 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NAAA Q02083 1/20 0.34
EPHX2 P34913 1/20 0.34
RXRB P28702 1/20 0.33
ICMT O60725 4/20 0.32
MAPK14 Q16539 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL19909451 0.95 KIF11 (0.37) KIF11S1PR1S1PR3RXRARXRG
SCHEMBL19903523 0.95 KIF11 (0.37) KIF11S1PR1S1PR3RXRARXRG
SCHEMBL19913192 0.93 KIF11 (0.35) KIF11S1PR1S1PR3RXRARXRG
SCHEMBL19903552 0.92 RXRA (0.38) KIF11RXRARXRGCYP11B1CYP11B2
SCHEMBL19909450 0.91 KIF11 (0.41) KIF11S1PR1S1PR3RXRARXRG
SCHEMBL19909419 0.89 KIF11 (0.44) KIF11EPHX2MAPK14
SCHEMBL19903459 0.88 KIF11 (0.47) KIF11RXRARXRGNAAARXRB
SCHEMBL19903526 0.88 RXRA (0.39) KIF11RXRARXRGNAAARXRB
SCHEMBL19909000 0.88 KIF11 (0.37) KIF11S1PR1S1PR3RXRARXRG
SCHEMBL19912405 0.88 MAPK14 (0.34) KIF11RXRARXRGCYP11B2MAPK14

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-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 KIF11 3067/4885S1PR1 2957/4885S1PR3 1488/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 KIF11 3082/4885S1PR1 4351/4885S1PR3 3182/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 KIF11 3067/4885S1PR1 2957/4885S1PR3 1488/4885

“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.