SCHEMBL1783369

SCHEMBL1783369

CCCCOCc1c(F)c(F)c(CO)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.35
LTA4H P09960 2/20 0.32
USP2 O75604 1/20 0.32
NR5A1 Q13285 1/20 0.32
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 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
SCHEMBL1787296 0.93 HTT (0.46) TSHRMEN1THRBHTTKMT2A
SCHEMBL1785464 0.82 TSHR (0.35) TSHRESR1CYP3A4ALDH1A1
SCHEMBL1785703 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1787544 0.76 HTT (0.38) TSHRMEN1THRBHTTKMT2A
SCHEMBL1787702 0.71 PTPN1 (0.33)
SCHEMBL11579414 0.69 MAOA (0.43) TSHRMEN1THRBHTTKMT2A
SCHEMBL9511137 0.68 LTA4H (0.46) TSHRMEN1KMT2AMAPTESR1
SCHEMBL10985455 0.68 GCGR (0.38)
SCHEMBL509275 0.67 TSHR (0.45) TSHRMEN1KMT2AESR1LTA4H
Alcohol SCHEMBL2397102 0.66 TSHR (0.78) TSHRMEN1THRBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US disclosed
EP-1975147-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-01 EP 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 (2 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-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND ADH1C, ADH1A, CYP2E1 TSHR 839/4885MEN1 621/4885THRB 1753/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 TSHR 842/4885MEN1 636/4885THRB 1965/4885

“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.