SCHEMBL3131602

SCHEMBL3131602

O=C(NCC=Cc1cccc(NCC2(O)CCCCC2)c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 1/20 0.37
MAOB P27338 3/20 0.33
HDAC4 P56524 2/20 0.33
MEF2D Q14814 2/20 0.33
P2RX7 Q99572 2/20 0.33
PTGES O14684 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3131596 1.00 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL613405 0.81 CYP4F2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL613406 0.81 CYP4F2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4569048 0.80 ALDH1A1 (0.35) MAOBHDAC4MEF2DNPC1PKM
SCHEMBL3383732 0.80 ALDH1A1 (0.32) LMNA
SCHEMBL4569051 0.80 ALDH1A1 (0.35) MAOBHDAC4MEF2DNPC1PKM
SCHEMBL3383726 0.80 ALDH1A1 (0.32) LMNA
SCHEMBL1726145 0.80 RORC (0.35) CYP3A4CYP2D6CYP2C9CYP2C19HDAC4
SCHEMBL1726144 0.80 RORC (0.35) CYP3A4CYP2D6CYP2C9CYP2C19HDAC4
SCHEMBL15576253 0.79 DRD2 (0.34) MAOBHDAC4MEF2DP2RX7KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CYP1A2 4128/4885CYP3A4 4413/4885CYP2D6 4522/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CYP1A2 4128/4885CYP3A4 4413/4885CYP2D6 4522/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CYP1A2 4128/4885CYP3A4 4413/4885CYP2D6 4522/4885

“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.