SCHEMBL14616390

SCHEMBL14616390

C=C(C)c1cccc(C(C)(C)OC#N)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1707006 0.82 L3MBTL1 (0.47) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL3067955 0.81 MAPK1 (0.38) ALDH1A1KMT2A
SCHEMBL13484002 0.80 L3MBTL1 (0.46) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL1646807 0.80 ESR1 (0.34) ALDH1A1TSHR
SCHEMBL9874577 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL545215 0.78 L3MBTL1 (0.44) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL18567172 0.77 JAK2 (0.37) ALDH1A1CYP2C9
SCHEMBL17299354 0.76 HDAC4 (0.39) ALDH1A1L3MBTL1HTTLMNACYP3A4
SCHEMBL18408453 0.76 ACHE (0.55) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL4880904 0.74 L3MBTL1 (0.49) ALDH1A1L3MBTL1MAPTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753497-B2 Photocurable composition CANON KABUSHIKI KAISHA (JP) 2023-09-12 US disclosed
US-10023747-B2 Active energy ray curable aqueous emulsions ALLNEX BELGIUM S.A. (BE) 2018-07-17 US disclosed
US-9796842-B2 Epoxy functional polystyrene for enhanced PLA miscibility FINA TECHNOLOGY, INC. (US) 2017-10-24 US disclosed
US-8785627-B2 Copolymerizable methine and anthraquinone compounds and articles containing them Abbott Medical Optics Inc. (US) 2014-07-22 US disclosed
US-8501890-B2 Copolymerizable methine and anthraquinone compounds and articles containing them Abbott Medical Optics Inc. (US) 2013-08-06 US disclosed
US-20130018159-A1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM Abbott Medical Optics Inc. (US) 2013-01-17 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-20130018159-A1 COPOLYMERIZABLE METHINE AND ANTHRAQUINONE COMPOUNDS AND ARTICLES CONTAINING THEM CRY1, AAAS, CYBA ALDH1A1 1377/4885L3MBTL1 4426/4885MAPT 580/4885

“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.