SCHEMBL698770

SCHEMBL698770

CC(C)c1cc[c]c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
PTPN5 P54829 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL1069850 0.86
SCHEMBL1777259 0.82 LMNA (0.33) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL457652 0.72 KIF11 (0.32)
SCHEMBL1031444 0.72 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL10180211 0.72 PDK2 (0.30) PDK2
SCHEMBL3284666 0.72 PDK2 (0.37) PDK2PTPN5ALDH1A1GAAALOX12
SCHEMBL15067062 0.72 LMNA (0.38) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL677008 0.70 LMNA (0.37) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL2444018 0.70 LMNA (0.41) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL149760 0.70 TSHR (0.37) PTPN5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
CN-102718665-B Insecticide for agricultural or horticultural use prepare intermediate MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) 2015-09-16 CN disclosed
CN-104892431-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2015-09-09 CN disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
CN-102976984-B Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2015-04-08 CN disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 US disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
US-20040157851-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-12 US disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO disclosed
US-20040087589-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-05-06 US disclosed
US-6531475-B1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-03-11 US disclosed
US-6514982-B1 Corticotropin releasing factor is believed to be the major physiological regulator of the basal and stress-release of adrenocorticotropic hormone, beta -endorphin, and other pro-opiomelanocortin-derived peptides from the pituitary NEUROCRINE BIOSCIENCES, INC. 2003-02-04 US disclosed
WO-2001087885-A1 CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2001-11-22 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 (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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 PDK2 3756/4885LMNA 4134/4885TRPA1 1051/4885
US-20040157851-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R PDK2 4476/4885LMNA 2102/4885TRPA1 729/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR PDK2 2326/4885LMNA 1423/4885TRPA1 102/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R PDK2 4476/4885LMNA 2102/4885TRPA1 729/4885

“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.