SCHEMBL16736670

SCHEMBL16736670

CC(c1ccc(C(F)(F)F)c(O)c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
DEGS1 O15121 1/20 0.35
RECQL P46063 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HIF1A Q16665 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL18559549 0.85 TRPA1 (0.53) TRPA1PTGS1CACNA1CRECQLTDP1
SCHEMBL18559667 0.81 TDP1 (0.42) TRPA1PTGS1CACNA1CRECQLTDP1
SCHEMBL16736845 0.79 TRPA1 (0.62) TRPA1PTGS1CACNA1CESR1ESR2
SCHEMBL18272127 0.72 ALOX15 (0.32) KDM4EMAPTALOX15ALDH1A1
SCHEMBL23250732 0.71 RNASEH1 (0.47) TRPA1PTGS1CACNA1CTDP1KDM4E
SCHEMBL28587728 0.71 BLM (0.53) PTGS1RECQLTDP1KDM4EMAPT
SCHEMBL30811107 0.71 BLM (0.53) PTGS1RECQLTDP1KDM4EMAPT
SCHEMBL28587727 0.71 BLM (0.53) PTGS1RECQLTDP1KDM4EMAPT
SCHEMBL7899070 0.71 ESR1 (0.62) PTGS1ESR1ESR2DEGS1RECQL
SCHEMBL10661885 0.70 TRPA1 (0.52) TRPA1TDP1MAPTLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO claimed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US claimed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US 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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TRPA1 1054/4885PTGS1 1624/4885CACNA1C 506/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TRPA1 1054/4885PTGS1 1624/4885CACNA1C 506/4885

“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.