SCHEMBL20114712

SCHEMBL20114712

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(C#N)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.36
DHODH Q02127 1/20 0.34
NR3C1 P04150 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AR P10275 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL20114702 0.97 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20150437 0.94 MAPK1 (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20114713 0.92 ALDH1A1 (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL23464421 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22243212 0.91 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20155971 0.91 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20155974 0.90 ALDH1A1 (0.44) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156210 0.90 HPGD (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156140 0.89 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20115013 0.89 ALDH1A1 (0.44) 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.