SCHEMBL2458461

SCHEMBL2458461

Fc1ccc(Oc2ccccc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.61
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 1/20 0.52
HTR1A P08908 4/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
DAO P14920 1/20 0.45
FAAH O00519 1/20 0.45
HSPB1 P04792 1/20 0.44
PNLIP P16233 1/20 0.44
MAPT P10636 1/20 0.44
MAP2K1 Q02750 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL6293051 0.95 PARP10 (0.66) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL6289863 0.93 PARP10 (0.63) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL6290343 0.91 PARP10 (0.61) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL6293879 0.91 PARP10 (0.61) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL6293904 0.91 PARP10 (0.61) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL6290746 0.88 PARP10 (0.59) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL6290371 0.88 PARP10 (0.59) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL702582 0.88 PARP10 (0.58) PARP10ALDH1A1L3MBTL1LMNAHTR1A
SCHEMBL6290676 0.87 ALDH1A1 (0.61) PARP10ALDH1A1L3MBTL1LMNAHTR1A
Ammonia Solution, Strong SCHEMBL4266595 0.86 PARP10 (0.56) PARP10ALDH1A1L3MBTL1LMNAHTR1A

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 9 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 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
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
US-4278816-A FROM DIPHENYL ETHERS AND HYDROGEN SULFIDE, ABSORPTIVE CATALYST STAUFFER CHEMICAL COMPANY (US) 1981-07-14 US disclosed
US-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 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 (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 PARP10 3569/4885ALDH1A1 1513/4885L3MBTL1 1396/4885

“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.