SCHEMBL613758

SCHEMBL613758

CCCCC(C)(O)c1cccc(/C=C/CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALDH3A1 P30838 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ALDH2 P05091 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
DRD3 P35462 1/20 0.33
CASP3 P42574 1/20 0.33
KCNA5 P22460 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL613759 1.00 ALDH1A1 (0.39) ALDH1A1ALDH3A1RCE1ALDH2MEN1
SCHEMBL10237588 0.96 ALDH1A1 (0.38) ALDH1A1ALDH3A1RCE1ALDH2
SCHEMBL613540 0.84 ALDH1A1 (0.39) ALDH1A1ALDH3A1RCE1ALDH2MEN1
SCHEMBL613539 0.84 ALDH1A1 (0.39) ALDH1A1ALDH3A1RCE1ALDH2MEN1
SCHEMBL10352312 0.76 ALDH1A1 (0.50) ALDH1A1ALDH3A1RCE1ALDH2MEN1
SCHEMBL613235 0.76 TDP1 (0.47) TSHR
SCHEMBL10237576 0.74 ALDH1A1 (0.41) ALDH1A1ALDH3A1RCE1ALDH2MEN1
SCHEMBL12426128 0.73 NR1H3 (0.56) ALDH1A1ALDH3A1RCE1ALDH2KMT2A
SCHEMBL12425706 0.73 ALDH1A1 (0.50) ALDH1A1ALDH3A1RCE1ALDH2MEN1
SCHEMBL12425708 0.72 ALDH1A1 (0.58) ALDH1A1ALDH3A1RCE1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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 (5 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885ALDH3A1 1452/4885RCE1 3874/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885ALDH3A1 1452/4885RCE1 3874/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885ALDH3A1 1452/4885RCE1 3874/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALDH1A1 641/4885ALDH3A1 1452/4885RCE1 3874/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT ALDH1A1 641/4885ALDH3A1 1452/4885RCE1 3874/4885

“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.