SCHEMBL3070923

SCHEMBL3070923

CCC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 3/20 0.49
CTBP2 P56545 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.46
PIK3CA P42336 2/20 0.46
CNR2 P34972 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL11621592 0.94 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AALDH1A1CTBP2
SCHEMBL1479915 0.86 NPC1 (0.55) L3MBTL1NPC1RAB9AALDH1A1CTBP2
Chlorobenzene SCHEMBL27603194 0.86 L3MBTL1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AMAPT
1,4-Dichlorobenzene SCHEMBL28257308 0.84 TDP1 (0.56) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL7256785 0.83 ALDH1A1 (0.49) L3MBTL1NPC1RAB9AALDH1A1CTBP2
SCHEMBL7149195 0.82 ALDH1A1 (0.52) L3MBTL1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1538218 0.80 ALDH1A1 (0.58) L3MBTL1NPC1RAB9AALDH1A1CTBP2
SCHEMBL4632976 0.80 NPC1 (0.50) L3MBTL1NPC1RAB9AALDH1A1CTBP2
SCHEMBL5539303 0.80 IAPP (0.40) L3MBTL1ALDH1A1LMNAPOLBHPGD
SCHEMBL17481548 0.80 ALDH1A1 (0.59) ALDH1A1LMNAPOLBMAPTHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710256-A Cheap and efficient synthesis method of alpha-hydroxyketone compound UNIV BEIJING 2015-06-17 CN claimed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
CN-115505167-A Cosolvent system, preparation method thereof and method for separating holocellulose 武汉轻工大学 2022-12-23 CN disclosed
EP-3697763-A1 D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF Syneurx International (Taiwan) Corp. (TW) 2020-08-26 EP disclosed
WO-2020151738-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-30 WO disclosed
WO-2019076329-A9 D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF TSAI GUOCHUAN EMIL (CN) 2019-08-15 WO disclosed
WO-2019076329-A1 D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF TSAI GUOCHUAN EMIL (CN) 2019-04-25 WO disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
CN-104710256-B Cheap and efficient synthesis method of alpha-hydroxyketone compound 北京大学 2017-03-22 CN disclosed
CN-104710256-A Cheap and efficient synthesis method of alpha-hydroxyketone compound UNIV BEIJING 2015-06-17 CN disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100273804-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
EP-2220051-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER Syngenta Participations AG (CH) 2010-08-25 EP disclosed
WO-2009080314-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 WO disclosed
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-20070082923-A1 Process for the synthesis of compounds for selectin inhibition WYETH 2007-04-12 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 (6 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 L3MBTL1 748/4885NPC1 3565/4885RAB9A 1592/4885
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B L3MBTL1 1003/4885NPC1 1587/4885RAB9A 2851/4885
US-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB L3MBTL1 1425/4885NPC1 2957/4885RAB9A 458/4885
US-20070082923-A1 Process for the synthesis of compounds for selectin inhibition SELP, SELE, SELL L3MBTL1 1966/4885NPC1 3962/4885RAB9A 2894/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 L3MBTL1 3375/4885NPC1 613/4885RAB9A 3477/4885
US-20100273804-A1 PYRIDAZINE DERIVATIVES USEFUL AS FUNGICIDES AND FOR THE TREATMENT OF CANCER C3AR1, CBR3, C1S L3MBTL1 820/4885NPC1 2642/4885RAB9A 1704/4885

“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.