SCHEMBL22157102

SCHEMBL22157102

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2c(F)cc(F)cc2F)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
AR P10275 2/20 0.33
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
RORC P51449 2/20 0.32
PGR P06401 2/20 0.32
RORA P35398 1/20 0.32
RORB Q92753 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NRP1 O14786 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NR1H3 Q13133 1/20 0.30
KCNH2 Q12809 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
SCHEMBL22157098 0.95 KIF11 (0.34) KIF11PDE9APDE1CNRP1
SCHEMBL22156524 0.94 KCNH2 (0.33) KIF11KCNH2
SCHEMBL22155875 0.92 KIF11 (0.34) KIF11ARPDE9APDE1CRORC
SCHEMBL22158306 0.90 AR (0.34) KIF11ARRORCPGRRORA
SCHEMBL22155923 0.89 PDE9A (0.31) ARPDE9APDE1CRORCPGR
SCHEMBL22157047 0.89 PDE9A (0.32) KIF11ARPDE9APDE1CRORC
SCHEMBL22158446 0.89 RORC (0.33) KIF11ARPDE9APDE1CRORC
SCHEMBL22156523 0.89 KIF11 (0.31) KIF11
SCHEMBL22156578 0.89 PDE9A (0.35) PDE9APDE1CMAPTKDM4EALDH1A1
SCHEMBL22155899 0.88 HTR1D (0.32) KIF11RORCPGRRORARORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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 (1 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 KIF11 4485/4885AR 3782/4885PDE9A 4546/4885

“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.