SCHEMBL10235891

SCHEMBL10235891

CCCOc1cccc(CCCC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.51
▸ PPARA Q07869 3/20 0.48
▸ PPARG P37231 2/20 0.48
▸ FDFT1 P37268 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ DHFR P00374 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL4568770 0.88 PPARA (0.51) CYP2D6PPARAPPARGMAPK1L3MBTL1
SCHEMBL609944 0.87 TAAR1 (0.47) CYP2D6PPARAPPARGMAPK1L3MBTL1
SCHEMBL3966817 0.84 TDP1 (0.49) CYP2D6PPARAPPARGMAPK1L3MBTL1
SCHEMBL10236068 0.83 PPARA (0.67) CYP2D6PPARAPPARGTSHRCNR1
SCHEMBL8957636 0.83 PPARA (0.67) CYP2D6PPARAPPARGTSHRCNR1
SCHEMBL10235877 0.83 PPARA (0.58) CYP2D6PPARAPPARGKMT2ACNR1
SCHEMBL5387336 0.83 PPARA (0.67) CYP2D6PPARAPPARGTSHRCNR1
SCHEMBL10235894 0.83 PPARA (0.55) CYP2D6PPARAPPARGKMT2AKCNH2
SCHEMBL9172207 0.81 PPARA (0.50) CYP2D6PPARAPPARGKMT2ADHFR
SCHEMBL5248661 0.81 PPARA (0.54) CYP2D6PPARAPPARGKMT2ADHFR

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 CYP2D6 3706/4885PPARA 2018/4885PPARG 799/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYP2D6 3706/4885PPARA 2018/4885PPARG 799/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYP2D6 3706/4885PPARA 2018/4885PPARG 799/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYP2D6 3706/4885PPARA 2018/4885PPARG 799/4885

“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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