SCHEMBL10235748

SCHEMBL10235748

CCCCc1cccc(CCCCC(=O)N(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP2D6 P10635 5/20 0.48
▸ KCNH2 Q12809 2/20 0.47
▸ LPL P06858 2/20 0.46
▸ LIPG Q9Y5X9 2/20 0.46
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ TBXAS1 P24557 1/20 0.44

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
SCHEMBL610667 0.86 ALOX5 (0.53) ALOX5TBXAS1
Hydrochloric Acid SCHEMBL611856 0.85 ALOX5 (0.51) ALOX5KCNH2TBXAS1
SCHEMBL4568886 0.83 CYP2D6 (0.67) CYP2D6KCNH2PPARGPPARA
SCHEMBL10235907 0.82 CYP2D6 (0.62) CYP2D6KCNH2PPARGPPARA
SCHEMBL19248516 0.82 MAPT (0.62) ALDH1A1LPLLIPGPPARGPPARA
SCHEMBL10235734 0.82 LPL (0.50) LPLLIPGPPARGPPARA
SCHEMBL386559 0.82 ALOX5 (0.77) ALOX5
SCHEMBL10235697 0.81 ALOX5 (0.45) ALOX5ALDH1A1CYP2D6KCNH2TBXAS1
SCHEMBL4682333 0.81 LPL (0.51) LPLLIPGPPARGPPARA
SCHEMBL20810395 0.81 ALOX5 (0.54) ALOX5TBXAS1

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 8 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 994/4885ALDH1A1 641/4885CYP2D6 3706/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALOX5 994/4885ALDH1A1 641/4885CYP2D6 3706/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALOX5 994/4885ALDH1A1 641/4885CYP2D6 3706/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT ALOX5 994/4885ALDH1A1 641/4885CYP2D6 3706/4885

“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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