SCHEMBL16736686

SCHEMBL16736686

CCCc1cc(Br)c(C(C)C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.44
GABRA1 P14867 2/20 0.38
GABRB1 P18505 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
ALOX5 P09917 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
HIF1A Q16665 1/20 0.34
TYR P14679 1/20 0.33
GCGR P47871 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL16736923 0.90 TYR (0.46) HMGCRGABRA1GABRB1ALOX15ALOX12
SCHEMBL16736600 0.86 HMGCR (0.42) HMGCRALOX15ALOX12ALOX5THRA
SCHEMBL16736711 0.85 ALOX15 (0.41) GABRA1GABRB1ALOX15ALOX12THRA
SCHEMBL16621898 0.81 THRA (0.49) THRATHRB
SCHEMBL16736694 0.80 GABRA1 (0.46) GABRA1GABRB1ALOX15ALOX12PTPN1
SCHEMBL16736841 0.80 HMGCR (0.46) HMGCRGABRA1ALOX15ALOX5THRB
SCHEMBL16736703 0.79 HMGCR (0.52) HMGCRALOX15ALOX12ALOX5THRB
SCHEMBL16736905 0.79 HMGCR (0.44) HMGCRGABRA1GABRB1ALOX15ALOX12
SCHEMBL16736899 0.79 ALOX15 (0.46) HMGCRGABRA1GABRB1ALOX15ALOX12
SCHEMBL16736705 0.77 TYR (0.44) HMGCRALOX15ALOX12ALOX5MAPT

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 HMGCR 2432/4885GABRA1 201/4885GABRB1 126/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR HMGCR 2432/4885GABRA1 201/4885GABRB1 126/4885

“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.