SCHEMBL147633

SCHEMBL147633

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
IDO1 P14902 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR35 Q9HC97 1/20 0.30
PTPN5 P54829 1/20 0.30
ADRB1 P08588 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
SCHEMBL697546 0.85 CES2 (0.32) CES2NOTUM
SCHEMBL147500 0.84 ALDH1A1 (0.34) CES2NOTUMALDH1A1TSHRCYP3A4
SCHEMBL288631 0.79
SCHEMBL698050 0.79
SCHEMBL971971 0.76 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4HPGDALOX15
SCHEMBL1846413 0.75
SCHEMBL17159495 0.75
SCHEMBL289390 0.74
SCHEMBL7556002 0.72 ALOX15 (0.48) ALDH1A1TSHRCYP3A4HPGDALOX15
SCHEMBL8836707 0.72 GABRA1 (0.42) ALDH1A1TSHRCYP3A4HPGDALOX15

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 157 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-6506784-B1 Inhibiting pest Gamma aminobutyric acid receptors by contacting said receptors with a compound of methods of controlling pests, especially insects and arachnids such as fleas and ticks 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-01-14 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-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
US-4629495-A Herbicidal 5-amino-4-cyano-1-phenylpyrazoles MAY & BAKER LIMITED (GB) 1986-12-16 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 (3 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 CES2 426/4885NOTUM 157/4885ALDH1A1 1103/4885
US-20030144251-A1 Pesticidal 1-arylpyrazoles CYP1B1, CYP2E1, CYP1A1 CES2 501/4885NOTUM 421/4885ALDH1A1 186/4885
US-20030092680-A1 Novel pesticides DDT, ACHE, PTMS CES2 426/4885NOTUM 157/4885ALDH1A1 1103/4885

“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.