SCHEMBL4617147

SCHEMBL4617147

Oc1ccccc1CCCBr

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
MPO P05164 6/20 0.55
SLC6A4 P31645 2/20 0.55
HSPA5 P11021 1/20 0.52
MGLL Q99685 1/20 0.50
HTR1A P08908 1/20 0.50
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL1171657 0.93 TAAR1 (0.54) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL9116334 0.91 MGLL (0.56) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL1171532 0.91 MGLL (0.56) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL16238934 0.91 MGLL (0.56) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL990719 0.86 TAAR1 (0.60) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL29788064 0.86 TAAR1 (0.60) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL3800530 0.85 TAAR1 (0.65) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL4967651 0.85 TAAR1 (0.65) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL8402231 0.83 MGLL (0.66) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL8401990 0.83 MGLL (0.66) TAAR1MPOSLC6A4HSPA5MGLL

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND NAGASE & CO., LTD. (JP) 2022-05-12 US disclosed
CN-109641918-B Imidazoles as inhibitors of histone demethylases 欧洲肿瘤研究所有限责任公司 2021-12-21 CN disclosed
EP-3851446-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND Nagase & Co., Ltd. (JP) 2021-07-21 EP disclosed
EP-3615506-A1 NOVEL COMPOUNDS OF FORMULA (I) AND USE THEREOF IN THERMOCHROMIC PIGMENT COMPOSITIONS Société BIC (FR) 2020-03-04 EP disclosed
CN-109641918-A Imidazoles as inhibitors of histone demethylases 欧洲肿瘤研究所有限责任公司 2019-04-16 CN disclosed
CN-102212085-A Method for preparing Salen-metal complex UNIV HEBEI TECHNOLOGY 2011-10-12 CN disclosed
EP-1879562-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY Imperial Innovations Limited (GB) 2008-01-23 EP disclosed
WO-2006097744-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY IMPERIAL INNOVATIONS LIMITED (GB) 2006-09-21 WO disclosed
EP-0619374-B1 Colorimetric determination of an analyte using benzyl alcohol dehydrogenase and a chromogenic redox-indicator BOEHRINGER MANNHEIM GMBH (DE) 1997-08-13 EP disclosed
US-5639776-A CROP PESTICIDE; NONPHYTOTOXIC, KIDNEY BEANS, ORANGES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-17 US disclosed
EP-0751130-A1 4,5-DIHYDROPYRAZOLE-5-THIONE DERIVATIVES AND ACARICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-01-02 EP disclosed
US-5445943-A Reduction of an aromatic nitrosoaniline compound to a colored quinone diimine BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0619374-A2 Colorimetric determination of an analyte using benzyl alcohol dehydrogenase and a chromogenic redox-indicator Roche Diagnostics GmbH (DE) 1994-10-12 EP 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-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND VIP, IAPP, RPS27A TAAR1 4329/4885MPO 3200/4885SLC6A4 2177/4885

“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.