SCHEMBL5565882

SCHEMBL5565882

CCCCCCCCCCCCCCCCCCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
KCNH2 Q12809 1/20 0.40
NAAA Q02083 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
DNM1 Q05193 2/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
PKM P14618 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL8709097 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL9169189 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL27869350 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL455480 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL7857041 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL10810735 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL8165832 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL2648008 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL10370405 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL4067213 0.98 CYP3A4 (0.50) CYP3A4TDP1CES2CES1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170367989-A1 NANOPARTICLES FOR LIPID HOMEOSTASIS NATIONAL INSTITUTES OF HEALTH 2017-12-28 US disclosed
EP-3236955-A1 NANOPARTICLES FOR LIPID HOMEOSTASIS University of Georgia Research Foundation Inc. (US) 2017-11-01 EP disclosed
WO-2016106328-A1 NANOPARTICLES FOR LIPID HOMEOSTASIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-06-30 WO disclosed
CN-105477633-A Hypocrellin cationic liposome preparation and preparation method and application thereof FIRST AFFILIATED HOSPITAL CHINESE PLA GENERAL HOSPITAL 2016-04-13 CN disclosed
US-20070142657-A1 Process for the preparation of aliphatic primary alcohols and intermediates in such process DSM IP ASSETS B.V. (NL) 2007-06-21 US disclosed
EP-1685089-A1 PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND INTERMEDIATES IN SUCH PROCESS DSM IP Assets B.V. (NL) 2006-08-02 EP disclosed
WO-2005047221-A1 PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND INTERMEDIATES IN SUCH PROCESS DSM IP ASSETS B.V. (NL) 2005-05-26 WO disclosed
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP 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-20170367989-A1 NANOPARTICLES FOR LIPID HOMEOSTASIS LDLR, APOB, HDLBP CYP3A4 3109/4885TDP1 1555/4885CES2 1650/4885
US-20070142657-A1 Process for the preparation of aliphatic primary alcohols and intermediates in such process CYP2E1, MSMO1, ADH1C CYP3A4 225/4885TDP1 4711/4885CES2 1138/4885

“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.