SCHEMBL16736614

SCHEMBL16736614

CC(C)c1cc(O)c(C(F)(F)F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.39
GABRB1 P18505 3/20 0.39
LMNA P02545 2/20 0.35
ADRB2 P07550 3/20 0.34
GABRB2 P47870 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
NOTUM Q6P988 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16736770 0.86 ADRB2 (0.33) ADRB2NOTUMP2RX7ALOX15ALOX12
SCHEMBL16736746 0.83 ALOX15 (0.52) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL15256022 0.82 LMNA (0.47) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL18272130 0.82 LMNA (0.38) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL16736825 0.81 ESR1 (0.31) ESR1ESR2
SCHEMBL16736689 0.80 GABRA1 (0.48) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL16736793 0.79 PDE2A (0.40) GABRA1LMNAADRB2GABRB2CA1
SCHEMBL16736892 0.78 LMNA (0.47) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL5385858 0.76 GABRA1 (0.48) GABRA1GABRB1LMNAGABRB2CA1
SCHEMBL15031073 0.76 GABRA1 (0.48) GABRA1GABRB1LMNAGABRB2CA1

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
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-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 GABRA1 201/4885GABRB1 126/4885LMNA 2070/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR GABRA1 201/4885GABRB1 126/4885LMNA 2070/4885

“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.