SCHEMBL16736600

SCHEMBL16736600

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.42
TSHR P16473 1/20 0.42
RORC P51449 1/20 0.39
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL16736705 0.90 TYR (0.44) HMGCRTSHRRORCALOX15ALOX12
SCHEMBL16736868 0.86 TSHR (0.44) TSHRRORCALOX15ALOX12ALDH1A1
SCHEMBL16736686 0.86 HMGCR (0.44) HMGCRALOX15ALOX12ALDH1A1ALOX5
SCHEMBL16736688 0.81 HMGCR (0.43) HMGCRTSHRRORCALOX15ALDH1A1
SCHEMBL16736786 0.80 RORC (0.49) TSHRRORCALOX15ALOX12ALDH1A1
SCHEMBL16736910 0.80 ALOX15 (0.43) HMGCRTSHRRORCALOX15ALOX12
SCHEMBL16736596 0.80 HMGCR (0.42) HMGCRTSHRRORCALOX15ALOX12
SCHEMBL16736806 0.77 TSHR (0.46) TSHRRORCALOX15ALOX12ALDH1A1
SCHEMBL16736852 0.77 TSHR (0.46) TSHRRORCALOX15ALOX12ALDH1A1
SCHEMBL16736923 0.77 TYR (0.46) HMGCRTSHRALOX15ALOX12ALDH1A1

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 2432/4885TSHR 535/4885RORC 211/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR HMGCR 2432/4885TSHR 535/4885RORC 211/4885

“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.