SCHEMBL16736718

SCHEMBL16736718

CCCc1cc(O)c(CC)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.44
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
BACE1 P56817 1/20 0.38
PRKCI P41743 1/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16736876 0.92 HMGCR (0.48) HMGCRALOX15ALOX12PTPN1PTPN11
SCHEMBL16736863 0.92 HMGCR (0.52) HMGCRALOX15ALOX12PTPN1PTPN11
SCHEMBL16736895 0.89 TYR (0.50) ALOX15ALOX12ESR1ESR2MAPT
SCHEMBL16736856 0.87 ALOX15 (0.47) ALOX15ALOX12ESR1ESR2BACE1
SCHEMBL16736776 0.85 TYR (0.50) HMGCRALOX15ALOX12PTPN1PTPN11
SCHEMBL16736725 0.85 TYR (0.50) HMGCRALOX15ALOX12PTPN1PTPN11
SCHEMBL10940941 0.83 TSHR (0.48) HMGCRALOX15ALOX12PTPN1PTPN11
SCHEMBL7609979 0.83 HMGCR (0.44) HMGCRPTPN1PTPN11ESR1ESR2
SCHEMBL10639901 0.81 HMGCR (0.53) HMGCRALOX15ALOX12PTPN1PTPN11
SCHEMBL16736915 0.81 TYR (0.50) HMGCRALOX15ALOX12ESR1ESR2

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 HMGCR 2432/4885ALOX15 1851/4885ALOX12 1615/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR HMGCR 2432/4885ALOX15 1851/4885ALOX12 1615/4885

“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.