SCHEMBL15946002

SCHEMBL15946002

CCCCc1cccc(NCCCCCOC)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
S1PR4 O95977 3/20 0.45
S1PR5 Q9H228 3/20 0.45
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
S1PR3 Q99500 2/20 0.41
GAA P10253 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2B P18089 1/20 0.40
OPRD1 P41143 1/20 0.40
SCN5A Q14524 1/20 0.40
ABL1 P00519 1/20 0.40
F2R P25116 1/20 0.39

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
SCHEMBL3131815 0.88 HTR6 (0.44) S1PR1S1PR4S1PR5KDM4EALDH1A1
SCHEMBL15946031 0.87 HDAC4 (0.48) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL1068395 0.85 S1PR1 (0.53) S1PR1S1PR4S1PR5HDAC11HDAC8
SCHEMBL11410042 0.85 S1PR1 (0.53) S1PR1S1PR4S1PR5HDAC11HDAC8
SCHEMBL18631859 0.85 HDAC4 (0.49) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL15946035 0.84 L3MBTL1 (0.47) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL15946021 0.83 ALDH1A1 (0.49) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL10235643 0.82 LPL (0.50)
SCHEMBL14368016 0.81 ALDH1A1 (0.50) HDAC4KDM4EALDH1A1HDAC11HDAC8
SCHEMBL15576279 0.81 L3MBTL1 (0.49) S1PR1S1PR4S1PR5HDAC4MEF2D

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 3 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

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

For each of this compound's patents that has machine-readable text (2 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 S1PR1 367/4885S1PR4 517/4885S1PR5 573/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 S1PR1 367/4885S1PR4 517/4885S1PR5 573/4885

“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.