SCHEMBL10235697

SCHEMBL10235697

CCCC(O)c1cccc(CCCCC(=O)N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.45
▸ CYSLTR2 Q9NS75 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ LTB4R Q15722 2/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38

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
SCHEMBL610735 0.89 ALOX5 (0.44) ALOX5CYSLTR2CYSLTR1LTB4RTAAR1
SCHEMBL10235718 0.86 CYSLTR2 (0.43) CYSLTR2CYSLTR1LTB4R
SCHEMBL612854 0.81 KCNH2 (0.38) ALOX5CYSLTR2CYSLTR1KCNH2
SCHEMBL10235993 0.81 LPL (0.53) LTB4R
SCHEMBL10235814 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1KCNH2TAAR1
SCHEMBL10235791 0.81 CYSLTR2 (0.48) CYSLTR2CYSLTR1KCNH2TAAR1
SCHEMBL10235748 0.81 ALOX5 (0.54) ALOX5CYP2D6KCNH2ALDH1A1TBXAS1
SCHEMBL10235709 0.80 CYP4F2 (0.44) CYSLTR2CYSLTR1LTB4RTAAR1
SCHEMBL4568896 0.79 CACNA1B (0.54) CYSLTR2CYSLTR1LTB4RCYP2D6KCNH2
SCHEMBL10235712 0.79 CYP4F2 (0.43) CYSLTR2CYSLTR1LTB4R

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 11 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-9079825-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-07-14 — — 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-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 — — 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

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 ALOX5 994/4885CYSLTR2 556/4885CYSLTR1 668/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALOX5 994/4885CYSLTR2 556/4885CYSLTR1 668/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALOX5 994/4885CYSLTR2 556/4885CYSLTR1 668/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ALOX5 41/4885CYSLTR2 456/4885CYSLTR1 417/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALOX5 994/4885CYSLTR2 556/4885CYSLTR1 668/4885

“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.

Send feedback