SCHEMBL4950024

SCHEMBL4950024

[2H]C1([2H])Oc2ccc(O)cc2O1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.68
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CALM1 P0DP23 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALOX5 P09917 1/20 0.38
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37

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
SCHEMBL30414006 1.00 CYP3A4 (0.68) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL3064552 0.86 CYP3A4 (0.68) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL25351591 0.86 CYP3A4 (0.75) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL20959 0.81 CYP3A4 (1.00) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL30839096 0.81 CYP3A4 (0.74) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL746125 0.81 CYP3A4 (0.74) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL29510426 0.81 CYP3A4 (1.00) CYP3A4NPC1MAPTMAPK1RAB9A
Methane SCHEMBL4169772 0.79 CYP3A4 (0.95) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL3334778 0.77 CYP3A4 (0.68) CYP3A4NPC1MAPTMAPK1RAB9A
SCHEMBL16773414 0.76 CYP3A4 (0.65) CYP3A4NPC1MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332718-A Preparation method of 1, 4-bis (chlorodifluoromethyl) benzene 苏州亚科科技股份有限公司 2023-06-27 CN claimed
CN-119923385-A Inhibitors of RNA helicase DHX9 and uses thereof 埃克森特治疗公司 2025-05-02 CN disclosed
CN-117088746-A Preparation method of parylene series products and parylene series products 苏州亚科科技股份有限公司 2023-11-21 CN disclosed
CN-116332718-A Preparation method of 1, 4-bis (chlorodifluoromethyl) benzene 苏州亚科科技股份有限公司 2023-06-27 CN disclosed
CN-116332718-A Preparation method of 1, 4-bis (chlorodifluoromethyl) benzene 苏州亚科科技股份有限公司 2023-06-27 CN disclosed
CN-116332718-A Preparation method of 1, 4-bis (chlorodifluoromethyl) benzene 苏州亚科科技股份有限公司 2023-06-27 CN disclosed
CN-103539632-B Method for preparing octafluoro [2,2] dimeric p-xylene by catalysis YUAN-SHIN MATERIALS TECHNOLOGY CORP. (CN) 2016-01-20 CN disclosed
CN-103102242-B Simple high-efficiency preparation method of 1, 4-bis (chlorodifluoromethyl) benzene YUAN-SHIN MATERIALS TECHNOLOGY CORP. (CN) 2015-09-02 CN disclosed
CN-103102242-B Simple high-efficiency preparation method of 1, 4-bis (chlorodifluoromethyl) benzene YUAN-SHIN MATERIALS TECHNOLOGY CORP. (CN) 2015-09-02 CN disclosed
CN-103102242-B Simple high-efficiency preparation method of 1, 4-bis (chlorodifluoromethyl) benzene YUAN-SHIN MATERIALS TECHNOLOGY CORP. (CN) 2015-09-02 CN disclosed
EP-1910322-B1 NOVEL DEUTERATED BENZO [D][1,3]-DIOXOL DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS CONCERT PHARMACEUTICALS INC (US) 2012-09-05 EP disclosed
CN-102557864-A Method for preparing 1, 4-bis (chlorodifluoromethyl) benzene SHANGHAI SINOFLUORO SCIENT CO 2012-07-11 CN disclosed
CN-102557864-A Method for preparing 1, 4-bis (chlorodifluoromethyl) benzene SHANGHAI SINOFLUORO SCIENT CO 2012-07-11 CN disclosed
US-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. 2008-11-20 US disclosed
WO-2008045987-A1 NOVEL METHODS FOR PRODUCING THERMOPLASTIC FLUOROPOLYMERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-04-17 WO disclosed
EP-1910322-A2 NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES Concert Pharmaceuticals Inc. (US) 2008-04-16 EP disclosed
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-05-17 US disclosed
WO-2007016431-A2 NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 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 (4 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-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A CYP3A4 269/4885NPC1 929/4885MAPT 1006/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 CYP3A4 160/4885NPC1 3262/4885MAPT 3518/4885
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties SLC6A4, HTR4, HTR5A CYP3A4 255/4885NPC1 1089/4885MAPT 433/4885
US-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES SLC6A4, HTR4, HTR5A CYP3A4 255/4885NPC1 1089/4885MAPT 433/4885

“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.