SCHEMBL3632151

SCHEMBL3632151

CC(C)c1ccc(-c2cccc(-c3ccc(C(C)C)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HSD11B1 P28845 1/20 0.49
PAX8 Q06710 1/20 0.49
NOD2 Q9HC29 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DHODH Q02127 3/20 0.45
NPC1 O15118 2/20 0.41
NOTUM Q6P988 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERBB2 P04626 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12269985 0.88 CCR1 (0.56) RAB9AMEN1KMT2AMAPTHPGD
Water SCHEMBL27687531 0.85 HSD11B1 (0.43) RAB9AMEN1KMT2AMAPTHPGD
SCHEMBL4900058 0.80 RXRA (0.54) DHODH
SCHEMBL3697238 0.80 RAB9A (0.44) RAB9AMEN1KMT2AMAPTHPGD
SCHEMBL3131891 0.79 SCN9A (0.49) HSD11B1DHODH
SCHEMBL3626772 0.78 CTSS (0.50) RAB9AMEN1KMT2AMAPTHPGD
SCHEMBL8775845 0.78 CYP1A2 (0.47) RAB9AMEN1KMT2AMAPTHPGD
SCHEMBL4351608 0.78 DHODH (0.54) RAB9AMEN1KMT2AMAPTHPGD
SCHEMBL597362 0.78 PTPN5 (0.49) RAB9AMEN1KMT2AMAPTHPGD
SCHEMBL23911681 0.77 MEN1 (0.72) RAB9AMEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP 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-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 (3 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 RAB9A 3592/4885MEN1 1250/4885KMT2A 53/4885
US-20050209222-A1 Pharmaceutically active compounds and methods of use ACHE, NLN, PARK7 RAB9A 1933/4885MEN1 1204/4885KMT2A 4129/4885
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE ACHE, NLN, PARK7 RAB9A 1933/4885MEN1 1204/4885KMT2A 4129/4885

“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.