SCHEMBL15946012

SCHEMBL15946012

CCCCc1cccc(NCC(CCC)CCC)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.53
S1PR4 O95977 3/20 0.53
S1PR5 Q9H228 3/20 0.53
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
S1PR3 Q99500 2/20 0.41
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
SPHK1 Q9NYA1 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL3128383 0.90 S1PR1 (0.50) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL15945997 0.89 S1PR1 (0.51) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL2151091 0.83 S1PR1 (0.47) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL28824373 0.81 S1PR4 (0.39) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL2157970 0.80 TDP1 (0.46) S1PR1S1PR4S1PR5
SCHEMBL18631859 0.79 HDAC4 (0.49) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL3130507 0.78 HTR6 (0.47) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL15946031 0.78 HDAC4 (0.48) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL26118267 0.77 LPL (0.47) S1PR1S1PR4S1PR5HDAC4MEF2D
SCHEMBL15576268 0.76 HDAC4 (0.56) 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.