SCHEMBL2870418

SCHEMBL2870418

CC(Br)(CO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7938667 0.77 TAAR1 (0.46) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL245863 0.77 CYP2C19 (0.58) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL2239057 0.77 TAAR1 (0.46) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL300764 0.77 TAAR1 (0.58) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL7292617 0.77 CYP2C19 (0.46) CYP2C19HIF1AALDH1A1TAAR1ALOX15
Hydrogen Peroxide SCHEMBL9448960 0.75 ALDH1A1 (0.55) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL1455824 0.75 TAAR1 (0.50) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL7192 0.75 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL6492862 0.75 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL9233872 0.75 ESR1 (0.48) CYP2C19HIF1AALDH1A1TAAR1ALOX15

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
CN-111978154-A Preparation method of 4-octyl phenethyl alcohol 南京康德祥医药科技有限公司 2020-11-24 CN disclosed
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
CN-1307153-C Organic tellurium compound, method for producing same, living radical polymerization initiator, method for producing polymer using same, and polymer OTSUKA KAGAKU KK (JP) 2007-03-28 CN disclosed
CN-1649838-A Organic tellurium compound, method for producing same, living radical polymerization initiator, method for producing polymer using same, and polymer OTSUKA KAGAKU KK (JP) 2005-08-03 CN disclosed
US-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO CYP2C19 1528/4885HIF1A 3443/4885ALDH1A1 3847/4885

“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.