SCHEMBL15946004

SCHEMBL15946004

CCCC(=O)c1cccc(NCCCCCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NR1H4 Q96RI1 5/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ABCB11 O95342 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2B P18089 1/20 0.42
OPRD1 P41143 1/20 0.42
SCN5A Q14524 1/20 0.42
SMPD1 P17405 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3131808 0.90 ALDH1A1 (0.43) MAPTALDH1A1HDAC11HDAC8NR1H4
SCHEMBL15945985 0.87 HDAC11 (0.51) MAPTALDH1A1HDAC11HDAC8THRA
SCHEMBL15946003 0.86 ALDH1A1 (0.46) MAPTALDH1A1HDAC11HDAC8HPGD
SCHEMBL15946020 0.84 HDAC11 (0.51) MAPTALDH1A1HDAC11HDAC8NR1H4
SCHEMBL13033166 0.83 ALDH1A1 (0.55) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL15946036 0.81 MAP1LC3B (0.46) NR1H4THRATHRBSMPD1LMNA
SCHEMBL2150900 0.79 HDAC11 (0.49) MAPTALDH1A1HDAC11HDAC8LMNA
SCHEMBL15576274 0.79 NPC1 (0.50) MAPTALDH1A1HDAC11HDAC8LMNA
SCHEMBL19513931 0.78 HTR7 (0.56) ALDH1A1HDAC11HDAC8CYP3A4HPGD
SCHEMBL11105990 0.78 HDAC11 (0.53) ALDH1A1HDAC11HDAC8LMNAHPGD

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