SCHEMBL16736711

SCHEMBL16736711

CCc1cc(Br)c(C(C)C)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 1/20 0.41
MCL1 Q07820 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CGAS Q8N884 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PKM P14618 1/20 0.35
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 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
SCHEMBL16736868 0.85 TSHR (0.44) ALOX15ALOX12MCL1HSP90AA1HSP90AB1
SCHEMBL16736686 0.85 HMGCR (0.44) ALOX15ALOX12GABRA1GABRB1THRA
SCHEMBL16736694 0.83 GABRA1 (0.46) ALOX15ALOX12GABRA1GABRB1CA1
SCHEMBL16736923 0.82 TYR (0.46) ALOX15ALOX12GABRA1GABRB1ESR1
SCHEMBL11665052 0.82 ALOX15 (0.50) ALOX15ALOX12GABRA1MCL1HSP90AA1
SCHEMBL2747477 0.82 GABRA1 (0.35) ALOX15ALOX12GABRA1GABRB1GABRB2
SCHEMBL16621898 0.81 THRA (0.49) THRATHRB
SCHEMBL16736709 0.78 ALOX15 (0.42) ALOX15ALOX12GABRA1HSP90AA1HSP90AB1
SCHEMBL31545806 0.78 ALOX15 (0.45) ALOX15ALOX12GABRA1HSP90AA1HSP90AB1
SCHEMBL16736689 0.77 GABRA1 (0.48) ALOX15ALOX12GABRA1GABRB1PKM

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 ALOX15 1851/4885ALOX12 1615/4885GABRA1 201/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ALOX15 1851/4885ALOX12 1615/4885GABRA1 201/4885

“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.