SCHEMBL21090307

SCHEMBL21090307

FC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MET P08581 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ MAT2A P31153 1/20 0.34
▸ RAC2 P15153 1/20 0.34
▸ RAC3 P60763 1/20 0.34

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
SCHEMBL20997104 1.00 ABCG2 (0.39) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL20911036 0.95 PPARG (0.36) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL20910697 0.95 ABCG2 (0.36) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL20910695 0.95 ABCG2 (0.36) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL21089846 0.94 KIF11 (0.40) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL20997097 0.94 KIF11 (0.40) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL20997099 0.93 ABCG2 (0.42) ABCG2KIF11LMNAPOLBMEN1
SCHEMBL20902596 0.93 ABCG2 (0.35) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL20902594 0.93 ABCG2 (0.35) ABCG2KIF11LMNAPOLBPPARG
SCHEMBL20996880 0.92 ABCG2 (0.44) ABCG2KIF11LMNAPOLBMEN1

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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 — — 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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 ABCG2 1311/4885KIF11 3328/4885LMNA 4337/4885

“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.

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