SCHEMBL16736673

SCHEMBL16736673

CCC(C)c1cc(O)c(C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RORC P51449 1/20 0.42
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 2/20 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

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
SCHEMBL16736772 0.85 ADRB2 (0.40) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL16736591 0.85 RORC (0.49) TSHRRORCADRB2ADRB1ADRB3
SCHEMBL12997637 0.82 TSHR (0.36) TSHRRORCPDE2A
SCHEMBL14430167 0.82 TSHR (0.50) TSHRRORCHSD17B10ADRA1ACYP3A4
SCHEMBL16736860 0.81 TSHR (0.46) TSHRRORCADRB2ADRB1ADRB3
SCHEMBL16736896 0.81 TSHR (0.46) TSHRRORCADRB2ADRB1ADRB3
SCHEMBL16736827 0.80 ACHE (0.46) ADRB2ADRB1ADRB3HSD17B10ADRA2A
SCHEMBL16736688 0.79 HMGCR (0.43) TSHRRORCADRB2ADRB1ADRB3
SCHEMBL21540518 0.79 TSHR (0.36) TSHRRORCPDE2A
SCHEMBL16168705 0.79 TSHR (0.50) TSHRRORCHSD17B10ADRA1ACYP3A4

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 TSHR 535/4885RORC 211/4885ADRB2 58/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TSHR 535/4885RORC 211/4885ADRB2 58/4885

“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.