SCHEMBL10053978

SCHEMBL10053978

CC(C)c1ccccc1-c1ccccc1-c1cc2sc3cc(-c4cc5sc6cc(-c7ccccc7-c7ccccc7C(C)C)sc6c5s4)sc3c2s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ POLQ O75417 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
SCHEMBL10053976 0.98 LIMK1 (0.37) LIMK1ALOX5APFEN1CA12CA1
SCHEMBL10053984 0.78 HPGD (0.37) LIMK1DHFR
SCHEMBL14882575 0.78 GABRA1 (0.36) CA1CA2GABRA1GABRB2
SCHEMBL14225396 0.76 GABRA1 (0.38) CA1CA2GABRA1GABRB2
SCHEMBL10053973 0.76 HPGD (0.38) LIMK1DHFR
SCHEMBL9174922 0.74 GABRA1 (0.52) CA12CA1CA2CA9DHFR
SCHEMBL22675162 0.74 DHFR (0.34) LIMK1ALOX5APFEN1CA12CA1
SCHEMBL22675090 0.72 ALOX5AP (0.35) LIMK1ALOX5APFEN1CA12CA1
SCHEMBL10053974 0.72 BACE1 (0.37) LIMK1
SCHEMBL167078 0.72 GABRA1 (0.55) CA12CA1CA2CA9DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8982443-B2 Organic compound and electrochromic device including the same CANON KABUSHIKI KAISHA (JP) 2015-03-17 — — US disclosed
US-8982443-B2 Organic compound and electrochromic device including the same CANON KABUSHIKI KAISHA (JP) 2015-03-17 — — US disclosed
US-20130100517-A1 NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-04-25 — — US disclosed
US-20130100517-A1 NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-04-25 — — US disclosed
WO-2012002185-A1 NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-01-05 — — WO 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-20130100517-A1 NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC DEVICE INCLUDING THE SAME CCNL2, DNMT3L, ARL1 LIMK1 487/4885ALOX5AP 2078/4885FEN1 1633/4885

“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.

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