SCHEMBL7215970

SCHEMBL7215970

CCCOc1cccc(CCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
CYP2D6 P10635 7/20 0.53
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
KMT2A Q03164 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KCNH2 Q12809 2/20 0.48
POLB P06746 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GGPS1 O95749 1/20 0.47

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
SCHEMBL10235887 0.95 PPARA (0.56) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL10235901 0.94 PPARA (0.58) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL10235872 0.94 PPARA (0.58) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL15016678 0.92 PPARA (0.59) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL8499622 0.91 PPARA (0.62) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL4568880 0.90 PPARA (0.57) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL3811700 0.90 CYP4F2 (0.63) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL4568872 0.89 PPARA (0.56) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL4568893 0.88 PPARA (0.58) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL516144 0.87 PPARA (0.57) PPARAPPARGCYP2D6CYP4F2CYP4A11

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-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP 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 PPARA 2018/4885PPARG 799/4885CYP2D6 3706/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PPARA 2018/4885PPARG 799/4885CYP2D6 3706/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PPARA 2018/4885PPARG 799/4885CYP2D6 3706/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PPARA 2018/4885PPARG 799/4885CYP2D6 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.