SCHEMBL21116174

SCHEMBL21116174

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(C)c6)ccc54)cc3C#N)c(C#N)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.37
S1PR4 O95977 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
S1PR1 P21453 1/20 0.37
NR3C1 P04150 1/20 0.35
GRM2 Q14416 1/20 0.35
LRRK2 Q5S007 1/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
CTRB1 P17538 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.34
ADORA2A P29274 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
SCHEMBL21116367 0.95 AR (0.45) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL21116167 0.93 ALDH1A1 (0.42) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL21131413 0.91 AR (0.44) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL20923200 0.91 MAPK14 (0.39) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL20114719 0.90 ALDH1A1 (0.39) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL21116207 0.89 ALDH1A1 (0.44) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116211 0.89 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116168 0.88 AR (0.45) ARALDH1A1HPGDMAPK1LMNA
SCHEMBL21116201 0.88 GRM2 (0.41) ALDH1A1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL21116195 0.87 GRM2 (0.36) ARALDH1A1HPGDMAPK1LMNA

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-11271174-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2022-03-08 US disclosed
US-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC 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-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, NOX3 AR 992/4885ALDH1A1 2170/4885HPGD 3190/4885
US-11271174-B2 Organic molecules for use in organic optoelectronic devices OR10J3, ORC3, NOX3 AR 857/4885ALDH1A1 2201/4885HPGD 2857/4885

“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.