SCHEMBL19909381

SCHEMBL19909381

N#Cc1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
ABCB1 P08183 1/20 0.38
MAT2A P31153 1/20 0.37
CTSS P25774 4/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MYC P01106 1/20 0.36
XDH P47989 1/20 0.35
CTSK P43235 4/20 0.34
TOP1 P11387 1/20 0.34
ESR1 P03372 1/20 0.34
DHODH Q02127 1/20 0.34
KIF11 P52732 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 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
SCHEMBL19913275 0.97 ABCG2 (0.39) ABCG2ABCB1MAT2ACTSSKDM4E
SCHEMBL22563374 0.91 ABCG2 (0.41) ABCG2ABCB1MAT2ACTSSKDM4E
SCHEMBL19913274 0.90 ABCG2 (0.39) ABCG2ABCB1CTSSKDM4EL3MBTL1
SCHEMBL19909444 0.90 ALOX5AP (0.36) MAT2ACTSSKDM4EALDH1A1L3MBTL1
SCHEMBL21279075 0.89 ABCG2 (0.41) ABCG2ABCB1MAT2ACTSSKDM4E
SCHEMBL23487278 0.89 ABCG2 (0.41) ABCG2ABCB1MAT2ACTSSKDM4E
SCHEMBL19913268 0.87 ABCG2 (0.39) ABCG2ABCB1CTSSKDM4EL3MBTL1
SCHEMBL19919476 0.87 ALOX5AP (0.34) ABCG2ABCB1MAT2AKDM4EALDH1A1
SCHEMBL19919552 0.87 RXRA (0.36) ABCG2ABCB1MAT2ACTSSKDM4E
SCHEMBL20616913 0.86 CTSS (0.50) MAT2ACTSSKDM4EALDH1A1TDP1

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 6 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
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 ABCG2 624/4885ABCB1 161/4885MAT2A 3296/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ABCG2 3492/4885ABCB1 2129/4885MAT2A 3273/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ABCG2 624/4885ABCB1 161/4885MAT2A 3296/4885

“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.