SCHEMBL2463985

SCHEMBL2463985

Fc1cc(-c2ccc(Cl)cc2Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.53
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRD5A2 P31213 1/20 0.45
DPP4 P27487 1/20 0.43
HSD11B1 P28845 3/20 0.41
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MARS1 P56192 1/20 0.39
GCG P01275 1/20 0.39

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
SCHEMBL2458495 0.82 AHR (0.67) AHRTP53KDM4ENPC1RAB9A
SCHEMBL4447113 0.81 AHR (0.65) AHRTP53KDM4ENPC1RAB9A
SCHEMBL16574075 0.79 MAP4K4 (0.46)
SCHEMBL610510 0.79 AHR (0.44) AHRTP53KDM4ENPC1RAB9A
SCHEMBL3480466 0.79 CYP11B2 (0.54) AHRKDM4E
SCHEMBL21728910 0.78 AHR (0.57) AHRTP53KDM4ENPC1RAB9A
SCHEMBL2933108 0.78 AHR (0.67) AHRTP53KDM4ENPC1RAB9A
2,5-Dichlorofluorobenzene SCHEMBL29707637 0.78
SCHEMBL29993075 0.78 AHR (0.55) AHRESR1ESR2
2,5-Dichlorofluorobenzene SCHEMBL529850 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481327-B2 Methods for using congeneric, chlorinated, brominated and/or iodised, fluorinated aromatic standard compounds having two benzol rings CHIRON AS (NO) 2013-07-09 US claimed
US-20110229973-A1 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2011-09-22 US claimed
US-20070298501-A1 Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof CHIRON AS (NO) 2007-12-27 US claimed
WO-2005077868-A2 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2005-08-25 WO claimed
US-8481327-B2 Methods for using congeneric, chlorinated, brominated and/or iodised, fluorinated aromatic standard compounds having two benzol rings CHIRON AS (NO) 2013-07-09 US disclosed
US-20110229973-A1 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2011-09-22 US disclosed
US-20070298501-A1 Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof CHIRON AS (NO) 2007-12-27 US disclosed
WO-2005077868-A2 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2005-08-25 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 (1 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-20070298501-A1 Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof CBR1, CYP1A1, CYP1B1 AHR 5/4885TP53 73/4885KDM4E 3381/4885

“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.