SCHEMBL4871741

SCHEMBL4871741

CC(C)c1ccc(C(=O)CCCC(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.72
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B3 P37058 7/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PDE4B Q07343 1/20 0.49
HTR7 P34969 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL1114978 0.93 USP5 (0.80) USP5NPC1RAB9APOLBMEN1
SCHEMBL30089581 0.91 USP5 (0.85) USP5NPC1RAB9APOLBMEN1
SCHEMBL1115053 0.91 USP5 (0.77) USP5NPC1RAB9APOLBMEN1
SCHEMBL5566974 0.90 USP5 (0.66) USP5NPC1RAB9APOLBMEN1
SCHEMBL1115055 0.89 USP5 (0.60) USP5NPC1RAB9APOLBMEN1
SCHEMBL30871980 0.89 HSD17B3 (0.66) USP5HSD17B3L3MBTL1HTR7
SCHEMBL11834369 0.89 USP5 (0.64) USP5NPC1RAB9APOLBMEN1
SCHEMBL2923903 0.89 USP5 (0.64) USP5NPC1RAB9APOLBMEN1
SCHEMBL11290691 0.89 USP5 (0.64) USP5NPC1RAB9APOLBMEN1
SCHEMBL27841966 0.89 USP5 (0.64) USP5NPC1RAB9APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed
US-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed
US-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed
US-20050209222-A1 Pharmaceutically active compounds and methods of use CAMBRIDGE NEUROSCIENCE, INC. 2005-09-22 US disclosed
US-6756389-B2 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. 2004-06-29 US disclosed
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH 2003-04-10 US disclosed
EP-0959887-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2003-01-08 EP disclosed
EP-0959887-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-12-01 EP disclosed
WO-1998006401-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-19 WO 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-20050209222-A1 Pharmaceutically active compounds and methods of use ACHE, NLN, PARK7 USP5 2613/4885NPC1 75/4885RAB9A 1933/4885
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE ACHE, NLN, PARK7 USP5 2613/4885NPC1 75/4885RAB9A 1933/4885

“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.