SCHEMBL9290286

SCHEMBL9290286

CC(C)(C)c1ccc2c3c(cccc13)C(=O)N2CCCC#N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
RORC P51449 2/20 0.44
BRD4 O60885 14/20 0.44
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9290277 0.82 KEAP1 (0.55) ALDH1A1MAPTRORCBRD4KDM4E
SCHEMBL9450607 0.81 ALDH1A1 (0.46) ALDH1A1MAPTBRD4KDM4EAPAF1
SCHEMBL12561275 0.81 RORC (0.44) ALDH1A1MAPTRORCBRD4KDM4E
SCHEMBL9290376 0.80 MAPT (0.49) ALDH1A1MAPTBRD4KDM4EAPAF1
SCHEMBL14707343 0.80 ALDH1A1 (0.66) ALDH1A1MAPTRORCBRD4KDM4E
SCHEMBL9290284 0.80 ALDH1A1 (0.47) ALDH1A1MAPTRORCBRD4KDM4E
SCHEMBL9290372 0.77 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL9290471 0.77 HTR1A (0.45) ALDH1A1MAPTRORCBRD4KDM4E
SCHEMBL9290424 0.77 HTR1A (0.44) ALDH1A1MAPTBRD4KDM4EAPAF1
SCHEMBL9290282 0.77 RORC (0.48) ALDH1A1MAPTRORCBRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350054-B2 Optical filter ADEKA CORPORATION (JP) 2013-01-08 US disclosed
EP-2458941-A1 OPTICAL FILTER Adeka Corporation (JP) 2012-05-30 EP disclosed
US-20110152538-A1 OPTICAL FILTER ADEKA CORPORATION (JP) 2011-06-23 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-20110152538-A1 OPTICAL FILTER C1R, CBR3, CBR1 ALDH1A1 776/4885MAPT 4299/4885RORC 1641/4885

“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.