SCHEMBL651464

SCHEMBL651464

Clc1ccc(/C=C/Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
CYP1A2 P05177 2/20 0.50
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 2/20 0.48
FBP1 P09467 1/20 0.46
MAOB P27338 4/20 0.45
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAOA P21397 2/20 0.42
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL651465 1.00 AHR (0.54) AHRCYP1A2NFE2L2HSD17B10FBP1
SCHEMBL11212004 0.85 MAOB (0.42) NFE2L2MAOBLMNAALOX5MAOA
SCHEMBL11209918 0.85 MAOB (0.42) NFE2L2MAOBLMNAALOX5MAOA
SCHEMBL11211999 0.85 MAOB (0.42) NFE2L2MAOBLMNAALOX5MAOA
SCHEMBL1795502 0.82 AHR (0.74) AHRCYP1A2NFE2L2HSD17B10FBP1
SCHEMBL260347 0.82 AHR (0.74) AHRCYP1A2NFE2L2HSD17B10FBP1
SCHEMBL9679426 0.82 AHR (0.74) AHRCYP1A2NFE2L2HSD17B10FBP1
SCHEMBL20582895 0.82 AHR (0.74) AHRCYP1A2NFE2L2HSD17B10FBP1
SCHEMBL9679429 0.82 AHR (0.74) AHRCYP1A2NFE2L2HSD17B10FBP1
SCHEMBL699666 0.82 AHR (0.74) AHRCYP1A2NFE2L2HSD17B10FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113511972-B (E) Process for preparing (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivatives 昆明理工大学 2025-01-21 CN disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 US disclosed
US-20020161005-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-10-31 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1204664-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1204665-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1204640-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1202985-A2 CHEMOKINE RECEPTOR ANTAGONISTS Millennium Pharmaceuticals, Inc. (US) 2002-05-08 EP disclosed
WO-2001009094-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009137-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009119-A2 CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009138-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 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 (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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 AHR 2527/4885CYP1A2 3811/4885NFE2L2 2373/4885
US-20020161005-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 AHR 2618/4885CYP1A2 3931/4885NFE2L2 2641/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 AHR 3153/4885CYP1A2 4427/4885NFE2L2 2999/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 AHR 2888/4885CYP1A2 4197/4885NFE2L2 3664/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 AHR 2888/4885CYP1A2 4197/4885NFE2L2 3664/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 AHR 2888/4885CYP1A2 4197/4885NFE2L2 3664/4885

“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.