SCHEMBL1105481

SCHEMBL1105481

CC(=O)/C=C/c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.73
SLC6A19 Q695T7 1/20 0.62
GLA P06280 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
BACE1 P56817 1/20 0.58
MAOB P27338 3/20 0.57
MAOA P21397 2/20 0.57
CYP2D6 P10635 1/20 0.56
CYP1B1 Q16678 1/20 0.56
PKM P14618 1/20 0.55
IAPP P10997 1/20 0.53
PTGS1 P23219 1/20 0.53
ALDH1A1 P00352 3/20 0.52
RELA Q04206 1/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ATM Q13315 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CCR6 P51684 1/20 0.49

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
SCHEMBL30963011 1.00 HSD17B3 (0.73) HSD17B3SLC6A19GLATDP1BACE1
SCHEMBL29247898 1.00 HSD17B3 (0.73) HSD17B3SLC6A19GLATDP1BACE1
SCHEMBL14441060 0.86 GLA (0.72) HSD17B3GLATDP1CYP2D6IAPP
SCHEMBL1035543 0.85 HSD17B3 (0.79) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL1035544 0.85 HSD17B3 (0.79) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL236623 0.83 HSD17B3 (0.76) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL31320929 0.83 HSD17B3 (0.76) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL236624 0.83 HSD17B3 (0.76) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL11586083 0.83 HSD17B3 (0.76) HSD17B3SLC6A19BACE1MAOBMAOA
SCHEMBL11586088 0.83 HSD17B3 (0.76) HSD17B3SLC6A19BACE1MAOBMAOA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109652463-B Method for synthesizing chiral alcohol by using Perakine reductase 浙江大学 2020-05-08 CN disclosed
CN-109652463-A A method of using Perakine reductase synthesis of chiral alcohol 浙江大学 2019-04-19 CN disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7291743-B2 Isoxazole derivatives and methods of treating nitric oxide mediated diseases GENEBLUE CORPORATION (US) 2007-11-06 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (4 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS HSD17B3 1173/4885SLC6A19 1088/4885GLA 263/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HSD17B3 1173/4885SLC6A19 1088/4885GLA 263/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HSD17B3 1173/4885SLC6A19 1088/4885GLA 263/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HSD17B3 1173/4885SLC6A19 1088/4885GLA 263/4885

“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.