SCHEMBL16736772

SCHEMBL16736772

Cc1cc(F)c(C(C)CF)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
CYP3A4 P08684 2/20 0.39
ACHE P22303 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
APEX1 P27695 1/20 0.38
RAD52 P43351 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16736673 0.85 TSHR (0.46) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL16736827 0.80 ACHE (0.46) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL16736907 0.80 LMNA (0.42) HSD17B10CYP3A4ACHEKDM4EMAPT
SCHEMBL16736594 0.80 ACHE (0.37) HSD17B10CYP3A4ACHEKDM4EMAPT
SCHEMBL18272069 0.77 ACHE (0.36) HSD17B10CYP3A4ACHEKDM4EMAPT
SCHEMBL16736850 0.77 ADRB2 (0.39) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL16736871 0.76 ADRB2 (0.38) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL16736889 0.74 ADRB2 (0.37) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL12172238 0.72 LMNA (0.44) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL16736867 0.72 ADRA2A (0.36) ADRB2ADRB1ADRB3HSD17B10ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ADRB2 58/4885ADRB1 186/4885ADRB3 265/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ADRB2 58/4885ADRB1 186/4885ADRB3 265/4885

“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.