SCHEMBL20114705

SCHEMBL20114705

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 2/20 0.37
PGR P06401 1/20 0.36
ABCG2 Q9UNQ0 3/20 0.36
NPY5R Q15761 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL20114717 0.97 AR (0.42) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20114703 0.92 ALDH1A1 (0.39) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20156192 0.92 NR3C1 (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20793936 0.92 AR (0.37) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20156284 0.92 ALDH1A1 (0.37) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20156190 0.91 ALDH1A1 (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156164 0.90 ALDH1A1 (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL23965885 0.89 NR3C1 (0.36) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20156201 0.89 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20155942 0.89 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 AR 3892/4885ALDH1A1 387/4885LMNA 3586/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885ALDH1A1 387/4885LMNA 3586/4885

“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.