SCHEMBL20150431

SCHEMBL20150431

Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5nc(C)nc(C)n5)c(C#N)c4)c3c2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 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
KDM4E B2RXH2 3/20 0.32
ALOX15 P16050 3/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
NR3C1 P04150 1/20 0.31
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20156203 0.95 ALDH1A1 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20150432 0.92 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20156139 0.89 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20114714 0.89 ALDH1A1 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20115019 0.88
SCHEMBL20156200 0.87 ALDH1A1 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL23487295 0.87 ALDH1A1 (0.32) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL20156287 0.85 GRM2 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20150438 0.85 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20114709 0.85 AR (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 (1 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

“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.