SCHEMBL15946003

SCHEMBL15946003

CCCC(=O)c1cccc(NCCCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTR2B P41595 1/20 0.41
F2R P25116 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AKR1C3 P42330 1/20 0.40
GAA P10253 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 1/20 0.39
KCNH3 Q9ULD8 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
SCHEMBL15945985 0.90 HDAC11 (0.51) ALDH1A1MAPTHDAC11HDAC8CA12
SCHEMBL2151021 0.88 CA12 (0.46) ALDH1A1MAPTHDAC11HDAC8CA12
SCHEMBL15946004 0.86 MAPT (0.48) ALDH1A1MAPTHDAC11HDAC8HPGD
SCHEMBL11105990 0.83 HDAC11 (0.53) ALDH1A1HDAC11HDAC8F2RHPGD
SCHEMBL18787388 0.83 HSD17B3 (0.49) ALDH1A1HTR2BHPGDSMN1; SMN2
SCHEMBL2150900 0.82 HDAC11 (0.49) ALDH1A1MAPTHDAC11HDAC8CA12
SCHEMBL15576274 0.82 NPC1 (0.50) ALDH1A1MAPTHDAC11HDAC8CA12
SCHEMBL15946020 0.80 HDAC11 (0.51) ALDH1A1MAPTHDAC11HDAC8CA12
SCHEMBL2151276 0.80 TDP1 (0.53) ALDH1A1MAPTHDAC11HDAC8CA12
SCHEMBL2151087 0.79 HDAC11 (0.49) ALDH1A1MAPTHDAC11HDAC8CA12

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 ALDH1A1 777/4885MAPT 197/4885HDAC11 1616/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ALDH1A1 777/4885MAPT 197/4885HDAC11 1616/4885

“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.