SCHEMBL564703

SCHEMBL564703

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)c1ccc(Oc2cccc(N(CC=O)C(=O)C3CCCN3C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.43
USP30 Q70CQ3 5/20 0.41
UCHL1 P09936 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GHSR Q92847 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
FFAR1 O14842 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
SCHEMBL564701 0.85 NPC1 (0.52) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL564702 0.85 NPC1 (0.52) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL883239 0.83 NPC1 (0.59) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL697981 0.81 ALDH1A1 (0.47) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL883027 0.79 HTR2C (0.46) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL11910976 0.77 NPC1 (0.60) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL14845515 0.77 NPC1 (0.60) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL19789881 0.76 LMNA (0.60) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL571211 0.75 NPC1 (0.58) ALDH1A1NPC1USP30UCHL1LMNA
SCHEMBL883143 0.75 NPC1 (0.58) ALDH1A1NPC1USP30UCHL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 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 (1 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 ALDH1A1 325/4885NPC1 62/4885USP30 2753/4885

“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.