SCHEMBL10235877

SCHEMBL10235877

CCCOc1cccc(CCCCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.58
PPARG P37231 3/20 0.58
BCHE P06276 3/20 0.53
KMT2A Q03164 1/20 0.51
CYP2D6 P10635 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
KCNH2 Q12809 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL10235894 0.97 PPARA (0.55) PPARAPPARGBCHEKMT2ACYP2D6
SCHEMBL17037350 0.93 KMT2A (0.55) PPARAPPARGBCHEKMT2ADRD2
SCHEMBL10235885 0.93 KMT2A (0.54) PPARAPPARGBCHEKMT2ACYP2D6
SCHEMBL4568912 0.92 KMT2A (0.53) PPARAPPARGBCHEKMT2ADRD2
SCHEMBL27663719 0.90 PPARA (0.68) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL10236068 0.90 PPARA (0.67) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL4568878 0.90 PPARA (0.58) PPARAPPARGBCHECYP2D6DRD2
SCHEMBL8957636 0.90 PPARA (0.67) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL5387336 0.90 PPARA (0.67) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL4568874 0.89 PPARG (0.57) PPARAPPARGBCHECYP2D6

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 PPARA 2018/4885PPARG 799/4885BCHE 800/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PPARA 2018/4885PPARG 799/4885BCHE 800/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PPARA 2018/4885PPARG 799/4885BCHE 800/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PPARA 2018/4885PPARG 799/4885BCHE 800/4885

“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.