SCHEMBL21116348

SCHEMBL21116348

FC(F)(F)c1ccc(-c2ccc(C(F)(F)F)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.39
LDHA P00338 2/20 0.39
CYP11B2 P19099 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
TSPO P30536 1/20 0.34
NR4A2 P43354 2/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 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
SCHEMBL21116344 0.96 TSPO (0.40) KIF11LDHACYP11B2CCNE2CDK4
SCHEMBL22140545 0.92 KIF11 (0.40) KIF11LDHACYP11B2CCNE2CDK4
SCHEMBL17950234 0.91 CYP11B2 (0.38) KIF11LDHACYP11B2ACHE
SCHEMBL17950236 0.91 KIF11 (0.46) KIF11LDHAALDH1A1
SCHEMBL26529151 0.88 LDHA (0.40) KIF11LDHACCNE2CDK4CCND1
SCHEMBL26529084 0.88 LDHA (0.40) KIF11LDHACCNE2CDK4CCND1
SCHEMBL26529170 0.88 LDHA (0.40) KIF11LDHACCNE2CDK4CCND1
SCHEMBL21116556 0.88 LDHA (0.42) KIF11LDHACYP11B2RXRARXRB
SCHEMBL21116891 0.88 KIF11 (0.39) KIF11
SCHEMBL21116889 0.87 KIF11 (0.41) KIF11TSPOL3MBTL1

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 KIF11 3544/4885LDHA 3375/4885CYP11B2 1090/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885LDHA 3458/4885CYP11B2 1121/4885

“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.