SCHEMBL20848581

SCHEMBL20848581

N#Cc1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SSTR2 P30874 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ICMT O60725 1/20 0.33
TACR1 P25103 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PDK2 Q15119 1/20 0.33
HIF1A Q16665 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
SCHEMBL20848579 0.97 TACR1 (0.35) ARGRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL20848934 0.93 AR (0.33) ARGRIN1GRIN2BALDH1A1GABRA1
SCHEMBL20849608 0.93 KIF11 (0.39) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL20849333 0.93 GABRA1 (0.38) ARALDH1A1SSTR2GABRA1GABRG2
SCHEMBL20849332 0.92 MAT2A (0.38) ARGRIN1GRIN2BSSTR2GABRA1
SCHEMBL20848933 0.92 AR (0.40) ARSSTR2GABRA1GABRG2GABRB3
SCHEMBL20848572 0.91 KIF11 (0.36) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL20848930 0.91 AR (0.45) ARALDH1A1SSTR2GABRA1GABRG2
SCHEMBL20848932 0.91 AR (0.38) ARSSTR2ICMTTACR1
SCHEMBL20849616 0.90 GABRA1 (0.36) ARALDH1A1SSTR2GABRA1GABRG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 AR 3706/4885GRIN1 4149/4885GRIN2B 1746/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 AR 3706/4885GRIN1 4149/4885GRIN2B 1746/4885

“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.