SCHEMBL21131806

SCHEMBL21131806

N#Cc1ccc(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1-c1cc(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
AR P10275 11/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 2/20 0.33
NAAA Q02083 1/20 0.33
KIF11 P52732 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
SCHEMBL21131804 0.94 AR (0.38) CYP11B1CYP11B2ARALDH1A1LMNA
SCHEMBL21132033 0.91 KIF11 (0.42) CYP11B1CYP11B2ARRXRARXRG
SCHEMBL21131417 0.90 CYP11B1 (0.40) CYP11B1CYP11B2ARRXRARXRG
SCHEMBL20923736 0.90 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL21131416 0.87 AR (0.38) CYP11B1CYP11B2ARALDH1A1LMNA
SCHEMBL20114887 0.87 CYP11B1 (0.35) CYP11B1CYP11B2ARRXRAALDH1A1
SCHEMBL21132035 0.86 KIF11 (0.39) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21116870 0.86 CYP11B1 (0.42) CYP11B1CYP11B2ARRXRARXRG
SCHEMBL21131388 0.85 KIF11 (0.40) ARSMN1; SMN2KIF11
SCHEMBL20849337 0.85 CYP11B1 (0.36) CYP11B1CYP11B2ARRXRARXRG

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 3 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
EP-3478657-B1 DICARBAZOLBIPHENYLDERIVATIVES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-04-21 EP 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 CYP11B1 1388/4885CYP11B2 1193/4885AR 912/4885
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, NOX3 CYP11B1 1457/4885CYP11B2 1360/4885AR 1037/4885

“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.