SCHEMBL20112002

SCHEMBL20112002

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc(-n5c6ccccc6c6ccc(-c7cccc(C)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.43
KIF11 P52732 1/20 0.36
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDK2 Q15119 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ICMT O60725 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PGR P06401 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
SCHEMBL20112004 0.96 AR (0.46) ARKIF11CYP2C9SCN9AALDH1A1
SCHEMBL20112001 0.94 AR (0.43) ARKIF11CYP2C9SCN9AALDH1A1
SCHEMBL21258704 0.94 KIF11 (0.37) ARKIF11CYP2C9SCN9AALDH1A1
SCHEMBL21258753 0.93 AR (0.39) ARKIF11CYP2C9SCN9AALDH1A1
SCHEMBL21258771 0.92 ALDH1A1 (0.37) ARKIF11CYP2C9SCN9AALDH1A1
SCHEMBL20111865 0.92 KIF11 (0.39) ARKIF11CYP2C9SCN9AALDH1A1
SCHEMBL25659220 0.91 AR (0.43) ARKIF11CYP2C9PDK2ADORA2A
SCHEMBL25660362 0.91 AR (0.43) ARKIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL21258752 0.91 AR (0.46) ARCYP2C9SCN9AALDH1A1MAPT
SCHEMBL20111559 0.91 KIF11 (0.39) ARKIF11CYP2C9SCN9AALDH1A1

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-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 AR 4611/4885KIF11 3426/4885CYP2C9 171/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4386/4885KIF11 3661/4885CYP2C9 817/4885

“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.