SCHEMBL16736752

SCHEMBL16736752

Oc1cc(C2CC2)c(Br)cc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.31
DRD1 P21728 2/20 0.30
DRD5 P21918 2/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL16736677 0.81 HTR2C (0.37) NUDT1BACE1HTR2AHTR2CHTR2B
SCHEMBL27090011 0.81 KDM1A (0.39) NUDT1BACE1HTR2AHTR2CHTR2B
SCHEMBL16736768 0.81 KDM4E (0.37) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL27090033 0.77 BACE1 (0.32) NUDT1BACE1HSP90AA1KDM4EMEN1
SCHEMBL27281622 0.77 HTR2C (0.37) NUDT1BACE1HTR2AHTR2CHTR2B
SCHEMBL16736717 0.77 GABRA1 (0.38) HTR2AHTR2CHTR2BHSP90AA1ALOX15
SCHEMBL14251575 0.77 MEN1 (0.34) KDM4EMEN1KMT2A
SCHEMBL16736877 0.74 KDM4E (0.38) NUDT1BACE1HSP90AA1KDM4EMEN1
SCHEMBL28855304 0.73 KDM4E (0.43) NUDT1BACE1HTR2AHTR2CHSP90AA1
SCHEMBL7760634 0.73 NUDT1 (0.52) NUDT1BACE1HSP90AA1KDM4EMEN1

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 NUDT1 1879/4885BACE1 1914/4885HTR2A 521/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR NUDT1 1879/4885BACE1 1914/4885HTR2A 521/4885

“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.