SCHEMBL20114711

SCHEMBL20114711

Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(C#N)c(-c5nc(C)nc(C)n5)c4)c3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM5B Q9UGL1 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
AR P10275 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL20156130 0.95 ALDH1A1 (0.37) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20155968 0.91 AR (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20114714 0.91 ALDH1A1 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156197 0.90 ALDH1A1 (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20150432 0.89 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156219 0.89 CHEK1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156162 0.89 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20155972 0.88 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156212 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156286 0.87 ALDH1A1 (0.34) 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 ALDH1A1 387/4885LMNA 3586/4885HPGD 2446/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ALDH1A1 387/4885LMNA 3586/4885HPGD 2446/4885

“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.