SCHEMBL16736769

SCHEMBL16736769

CCCc1cc(F)c(CC)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.50
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 2/20 0.43
RAD52 P43351 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAPDH P04406 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16736846 0.92 HMGCR (0.46) HMGCRMAPTLMNAXBP1HIF1A
SCHEMBL16736920 0.91 HMGCR (0.53) HMGCRMAPTLMNAXBP1HIF1A
SCHEMBL16736748 0.88 TYR (0.52) HMGCRMAPTMEN1RAD52RECQL
SCHEMBL7723931 0.87 ALOX15 (0.45) MAPTLMNAMEN1RAD52RECQL
SCHEMBL12114241 0.87 HMGCR (0.38) HMGCRMAPTLMNAXBP1HIF1A
SCHEMBL1760537 0.84 HMGCR (0.64) HMGCRMAPTLMNAXBP1HIF1A
SCHEMBL16736784 0.84 TYR (0.52) HMGCRMAPTLMNAXBP1HIF1A
SCHEMBL16736887 0.84 TYR (0.52) HMGCRMAPTLMNAXBP1HIF1A
SCHEMBL16216205 0.83 HMGCR (0.48) HMGCRMAPTLMNAXBP1HIF1A
SCHEMBL8614276 0.81 HMGCR (0.47) HMGCRMAPTLMNAXBP1HIF1A

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 2432/4885MAPT 259/4885LMNA 2070/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR HMGCR 2432/4885MAPT 259/4885LMNA 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.