SCHEMBL21132033

SCHEMBL21132033

N#Cc1ccc(-n2c3cc(-c4ccc(C(F)(F)F)cc4)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4)cc32)cc1-c1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4)cc32)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
AR P10275 9/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PGR P06401 1/20 0.36
MCHR1 Q99705 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 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
SCHEMBL21132035 0.94 KIF11 (0.39) KIF11ARPGRALDH1A1SMN1; SMN2
SCHEMBL21131806 0.91 CYP11B1 (0.40) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21131805 0.90 KIF11 (0.42) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21131388 0.89 KIF11 (0.40) KIF11ARSMN1; SMN2
SCHEMBL21132034 0.87 AR (0.38) KIF11ARPGRALDH1A1SMN1; SMN2
SCHEMBL21131808 0.87 AR (0.42) ARPGR
SCHEMBL21131804 0.86 AR (0.38) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21116346 0.85 KIF11 (0.45) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21132031 0.84 ALDH1A1 (0.50) CYP11B1CYP11B2ALDH1A1SMN1; SMN2LMNA
SCHEMBL21131603 0.84 PGR (0.38) KIF11PGRALDH1A1SMN1; SMN2LMNA

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-11380849-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2022-07-05 US disclosed
US-20190198778-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-11380849-B2 Organic molecules for use in optoelectronic devices OR10J3, NOX3, ORC3 KIF11 3608/4885AR 912/4885CYP11B1 1388/4885
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, NOX3 KIF11 3904/4885AR 1037/4885CYP11B1 1457/4885

“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.