SCHEMBL15946007

SCHEMBL15946007

CCCCc1cccc(NCC(O)(CC)CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
MEF2D Q14814 1/20 0.46
S1PR1 P21453 5/20 0.44
S1PR4 O95977 3/20 0.44
S1PR5 Q9H228 3/20 0.44
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
S1PR3 Q99500 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL15946009 0.93 HDAC4 (0.48) HDAC4MEF2DS1PR1S1PR4S1PR5
SCHEMBL2150929 0.89 HTR6 (0.45) HDAC4MEF2DS1PR1S1PR4S1PR5
SCHEMBL2150910 0.83 HTR6 (0.43) HDAC4MEF2DS1PR1S1PR4S1PR5
SCHEMBL2151115 0.81 S1PR1 (0.41) HDAC4MEF2DS1PR1S1PR4S1PR5
SCHEMBL27840734 0.79 HDAC4 (0.34) HDAC4MEF2DGRIN2DGRIN3BGRIN1
SCHEMBL2150690 0.79 TDP1 (0.46) HPGDMAPK1
SCHEMBL18631859 0.78 HDAC4 (0.49) HDAC4MEF2DS1PR1S1PR4S1PR5
SCHEMBL15946031 0.76 HDAC4 (0.48) HDAC4MEF2DS1PR1S1PR4S1PR5
SCHEMBL10235644 0.76 LPL (0.46) LPLLIPGGRIN2DGRIN3BGRIN1
SCHEMBL2151241 0.76 S1PR1 (0.42) HDAC4MEF2DS1PR1S1PR4S1PR5

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 HDAC4 542/4885MEF2D 4713/4885S1PR1 367/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HDAC4 542/4885MEF2D 4713/4885S1PR1 367/4885

“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.