SCHEMBL147500

SCHEMBL147500

FC(F)(F)c1cc(Cl)[c]c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CES2 O00748 1/20 0.31
GPR35 Q9HC97 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL147633 0.84 CES2 (0.37) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL147478 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL288877 0.83
SCHEMBL290108 0.80 NR1H2 (0.32) ALOX15TSHR
SCHEMBL288666 0.79
SCHEMBL697742 0.76 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL697546 0.76 CES2 (0.32) CES2NOTUM
SCHEMBL1531107 0.76 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL698918 0.74 RAPGEF4 (0.35) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL1401619 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
US-6638956-B2 Pesticidal 1-arylpyrazoles RHONE-POULENC, INC. 2003-10-28 US claimed
US-20030144251-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2003-07-31 US claimed
US-6593328-B2 Said compounds for the control of arthropod, nematode, helminth or protozoan pests, in particular to the application of said compounds or compositions in agricultural methods of use, particularly as pesticides, for controlling arthropods, RHONE-POULENC INC. 2003-07-15 US claimed
US-20030092680-A1 Novel pesticides WU TAI-TEH (US) 2003-05-15 US claimed
US-6500848-B2 INSECTICIDE, NEMATODICES, ANTIPROTOZOA AGENTS; VETERINARY MEDICINE RHONE-POULENC INC. 2002-12-31 US claimed
US-20020173492-A1 Novel pesticides WU TAI-TEH (US) 2002-11-21 US claimed
US-6376520-B1 INSECTICIDES, NEMATOCIDES RHONE-POULENC, INC. 2002-04-23 US claimed
US-20020045758-A1 Pesticidal 1-arylpyrazoles RHONE-POULENC INC. 2002-04-18 US claimed
US-6277848-B1 Pesticides RHONE-POULENC, INC. 2001-08-21 US claimed
US-6107314-A INSECTICIDES, NEMATOCIDES, PARASITICIDES RHONE-POULENC INC. (US) 2000-08-22 US claimed
EP-0948487-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
US-5914335-A INSECTICIDES RHONE-POULENC INC. (US) 1999-06-22 US claimed
EP-0911329-A1 3-Substituted arylpyrazole derivatives RHONE-POULENC AGRO (FR) 1999-04-28 EP claimed
WO-1998028279-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed
EP-0839809-A1 Pesticidal 1-arylpyrazole-5-sulfinilimine derivatives RHONE-POULENC AGROCHIMIE (FR) 1998-05-06 EP claimed
US-5691333-A APPLYING TO CONTROL ARTHROPODS AND NEMATODES RHONE-POULENC INC. (US) 1997-11-25 US claimed
US-5629335-A Pesticidal 1-arylpyrazole-3-carboximidothioic acid esters RHONE-POULENC INC. (US) 1997-05-13 US claimed
US-5177100-A Pesticides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-05 US claimed

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-20020173492-A1 Novel pesticides DDT, ACHE, PTMS ALDH1A1 1103/4885CYP3A4 1029/4885HPGD 2982/4885
US-20020045758-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 ALDH1A1 186/4885CYP3A4 39/4885HPGD 1611/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 ALDH1A1 186/4885CYP3A4 39/4885HPGD 1611/4885
US-20030092680-A1 Novel pesticides DDT, ACHE, PTMS ALDH1A1 1103/4885CYP3A4 1029/4885HPGD 2982/4885

“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.