SCHEMBL16736712

SCHEMBL16736712

Oc1cc(C2CC2)c(OC(F)(F)F)cc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
HTR2A P28223 5/20 0.32
APP P05067 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CGAS Q8N884 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
PDE2A O00408 1/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1E P28566 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL16736680 0.85 EPHX1 (0.32) EPHX1HTR2AAPPKCNH2TMEM97
SCHEMBL16736757 0.82 KCNH2 (0.32) HTR2AKCNH2TMEM97SIGMAR1
SCHEMBL16736668 0.81 KCNK3 (0.34) EPHX1APPKCNH2TMEM97SIGMAR1
SCHEMBL18271995 0.79 ALOX15 (0.37) KCNH2TMEM97SIGMAR1
SCHEMBL18272175 0.76 CNR2 (0.33)
SCHEMBL18272170 0.76 SLC6A4 (0.32)
SCHEMBL16748388 0.75 SCN9A (0.34) PTGDR2
SCHEMBL22208778 0.74 FFAR4 (0.40) EPHX1KCNH2
SCHEMBL18272080 0.72 NOTUM (0.39) HTR2AKCNH2HTR2C
SCHEMBL3908320 0.71 EPHX1 (0.37) EPHX1KCNH2TMEM97SIGMAR1MRGPRX4

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 12 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-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-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
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
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 EPHX1 519/4885HTR2A 521/4885APP 1608/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR EPHX1 519/4885HTR2A 521/4885APP 1608/4885

“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.