SCHEMBL3683189

SCHEMBL3683189

CC(Br)C(=O)OCCCCOC(=O)C(C)Br

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX1 P07099 1/20 0.35
FAAH O00519 1/20 0.35
ATM Q13315 1/20 0.34
ACHE P22303 6/20 0.34

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
SCHEMBL3685424 0.97 NAAA (0.41) NAAAALDH1A1TSHRCYP3A4EPHX1
SCHEMBL3682743 0.97 NAAA (0.41) NAAAALDH1A1TSHRCYP3A4EPHX1
SCHEMBL3689809 0.97 NAAA (0.41) NAAAALDH1A1TSHRCYP3A4EPHX1
SCHEMBL3678777 0.95 ALDH1A1 (0.37) NAAAALDH1A1TSHRCYP3A4EPHX1
SCHEMBL7198382 0.91 NAAA (0.52) NAAAALDH1A1TSHRCYP3A4EPHX1
SCHEMBL6553129 0.91 ACHE (0.42) NAAAALDH1A1TSHRCYP3A4EPHX1
SCHEMBL435016 0.89 TSHR (0.33) ALDH1A1TSHRFAAHACHE
SCHEMBL23084724 0.89 ALDH1A1 (0.47) NAAAALDH1A1TSHRCYP3A4EPHX1
SCHEMBL11783281 0.89 NAAA (0.55) NAAAALDH1A1TSHREPHX1FAAH
SCHEMBL22091902 0.89 NAAA (0.55) NAAAALDH1A1TSHREPHX1FAAH

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
EP-2013240-B1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO LTD (JP) 2017-05-31 EP disclosed
US-8492511-B2 Process for the preparation of crosslinked nitroxide polymers PIOTREK CO., LTD. (JP) 2013-07-23 US disclosed
CN-101490100-B Process for the preparation of crosslinked nitroxide polymers PIOTREK CO LTD 2012-08-22 CN disclosed
US-20100240858-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2010-09-23 US disclosed
CN-101490100-A Process for the preparation of crosslinked nitroxide polymers PIOTREK CO LTD (JP) 2009-07-22 CN disclosed
EP-2013240-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2009-01-14 EP disclosed
US-7452921-B2 for use in radiation curing; printing inks or varnishes; 4-Piperazinoacetophenone SUN CHEMICAL CORPORATION (US) 2008-11-18 US disclosed
WO-2007115939-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2007-10-18 WO disclosed
US-20070066700-A1 Piperazine-based sensitisers SUN CHEMICAL CORPORATION 2007-03-22 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 (1 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-20070066700-A1 Piperazine-based sensitisers H1-4, H1-5, EP300 NAAA 3824/4885ALDH1A1 1874/4885TSHR 1286/4885

“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.