SCHEMBL20623784

SCHEMBL20623784

N#Cc1cc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
AR P10275 9/20 0.35
MAT2A P31153 5/20 0.34
TRPA1 O75762 1/20 0.34
ELANE P08246 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20623788 0.97 KIF11 (0.42) KIF11ARMAT2ATRPA1
SCHEMBL21898739 0.92 TRPA1 (0.37) KIF11ARMAT2ATRPA1TSHR
SCHEMBL21898836 0.91 AR (0.36) ARTRPA1ELANETSHRSMN1; SMN2
SCHEMBL20623705 0.91 AR (0.40) KIF11AR
SCHEMBL20623789 0.90 KIF11 (0.37) KIF11ARTRPA1
SCHEMBL21898487 0.90 KIF11 (0.42) KIF11ARMAT2ATRPA1TSHR
SCHEMBL21898693 0.89 KIF11 (0.38) KIF11ARTRPA1
SCHEMBL20623783 0.88 ACP1 (0.37) KIF11ARTRPA1
SCHEMBL20616888 0.88 TRPA1 (0.44) KIF11ARMAT2ATRPA1
SCHEMBL21898720 0.88 AR (0.37) ARTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661412-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-30 US disclosed
EP-3645523-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2022-08-03 EP disclosed
US-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-23 US disclosed
WO-2019002175-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 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-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, AOC3, MT-CO3 KIF11 3795/4885AR 4468/4885MAT2A 2407/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 KIF11 3254/4885AR 4596/4885MAT2A 1186/4885

“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.