SCHEMBL16736699

SCHEMBL16736699

Cc1cc(OC(F)(F)F)c(C(C)C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
LMNA P02545 3/20 0.40
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
GAA P10253 3/20 0.38
ADRA1A P35348 2/20 0.38
APP P05067 2/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
HSD17B10 Q99714 2/20 0.35
TRPA1 O75762 2/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL16736803 0.84 ACHE (0.44) ACHELMNAGAAADRA1APOLB
SCHEMBL16748377 0.80 KDM4E (0.43) APPHSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL16736875 0.79 LMNA (0.49) LMNAKCNK3KCNK9GAAADRA1A
SCHEMBL16736744 0.77 LMNA (0.43) ACHELMNAGAAADRA1APOLB
SCHEMBL16736668 0.76 KCNK3 (0.34) KCNK3KCNK9APP
SCHEMBL16748338 0.76 ADRA1A (0.48) ACHELMNAGAAADRA1APOLB
SCHEMBL26607116 0.75 PGK1 (0.42) LMNAAPPHSD17B10CACNA1CSLC6A2
SCHEMBL28344355 0.75 ADRA1D (0.47) ACHELMNAGAAADRA1APOLB
SCHEMBL25600783 0.74 KCNK3 (0.42) LMNAKCNK3KCNK9GAAADRA1A
SCHEMBL10671724 0.74 GAA (0.42) ACHELMNAGAAADRA1APOLB

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 11 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

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 ACHE 7/4885LMNA 2070/4885KCNK3 231/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ACHE 7/4885LMNA 2070/4885KCNK3 231/4885

“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.