SCHEMBL1785464

SCHEMBL1785464

CCCCOCc1c(F)c(F)c(C)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL1787544 0.92 HTT (0.38) TSHRTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL1785412 0.88
SCHEMBL1783369 0.82 TSHR (0.43) TSHRESR1CYP3A4ALDH1A1
SCHEMBL1784131 0.79 MEN1 (0.31)
SCHEMBL27600513 0.78
SCHEMBL3687070 0.78
SCHEMBL27619011 0.78
SCHEMBL3695203 0.78
SCHEMBL3692837 0.78
SCHEMBL19795474 0.76 HSD17B10 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101346334-B Tetrafluorotoluene compound, method for producing same and use thereof SUMITOMO CO LTD 2013-04-24 CN disclosed
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
CN-101346334-A Tetrafluorotoluene compound, method for producing same and use thereof SUMITOMO CHEMICAL CO (JP) 2009-01-14 CN 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 839/4885TAS1R3 980/4885TAS1R1 639/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 TSHR 842/4885TAS1R3 799/4885TAS1R1 424/4885

“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.