SCHEMBL16736799

SCHEMBL16736799

CCCCc1cc(F)c(C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.52
HTT P42858 3/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX5 P09917 4/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HMGCR P04035 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL16736576 0.88 HMGCR (0.50) TYRHTTMAPK1NPC1HPGD
SCHEMBL12166722 0.86 TYR (0.57) TYRHTTMAPK1NPC1HPGD
SCHEMBL4010705 0.84 TYR (0.55) TYRHTTMAPK1NPC1HPGD
SCHEMBL2787575 0.84 TYR (0.55) TYRHTTMAPK1NPC1HPGD
SCHEMBL16736917 0.84 TYR (0.55) TYRHTTMAPK1NPC1HPGD
SCHEMBL28233540 0.82 TYR (0.53) TYRHTTMAPK1NPC1HPGD
SCHEMBL156399 0.81 TYR (0.65) TYRHTTMAPK1NPC1HPGD
SCHEMBL16736784 0.81 TYR (0.52) TYRHTTMAPK1NPC1HPGD
SCHEMBL16736748 0.81 TYR (0.52) TYRHTTMAPK1NPC1HPGD
SCHEMBL16736887 0.81 TYR (0.52) TYRHTTMAPK1NPC1HPGD

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 14 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
CN-101175720-A Novel haloalkyl sulfone substituted compounds useful for the treatment of obesity and diabetes NOVO NORDISK AS (DK) 2008-05-07 CN disclosed
CN-1300084-C 2-methoxy diphenyl ketone compound intermediate and its preparation method AMERICAN CYANAMID CO (US) 2007-02-14 CN disclosed
CN-1495153-A 2-methoxy diphenyl ketone compound intermediate and its preparation method 2004-05-12 CN disclosed
CN-1147456-C Fungicidal 2-methoxybenzophenones 2004-04-28 CN disclosed
CN-1217317-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID CO (US) 1999-05-26 CN 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 TYR 3/4885HTT 10/4885MAPK1 3310/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TYR 3/4885HTT 10/4885MAPK1 3310/4885

“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.