SCHEMBL79516

SCHEMBL79516

OCC#Cc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MELK Q14680 1/20 0.41
GRM5 P41594 1/20 0.41
ASIC3 Q9UHC3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
MAPK14 Q16539 1/20 0.34
C1S P09871 1/20 0.34
PARP1 P09874 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PYCR1 P32322 1/20 0.34
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3455825 0.86 ASIC3 (0.49) ALDH1A1GRM5ASIC3EGFRL3MBTL1
SCHEMBL5633251 0.85 ALDH1A1 (0.47) ALDH1A1MELKGRM5ASIC3KDM4E
SCHEMBL3456778 0.82 HTR2C (0.46) ALDH1A1GRM5ASIC3KDM4EEGFR
SCHEMBL11548200 0.80 MMP2 (0.37) ALDH1A1MELKKDM4EMMP2MMP12
SCHEMBL29779956 0.80 GRM5 (0.53) ALDH1A1GRM5MAPK1C1SPARP1
SCHEMBL1375869 0.80 GRM5 (0.53) ALDH1A1GRM5MAPK1C1SPARP1
SCHEMBL24040098 0.80 GRM5 (0.44) ALDH1A1GRM5L3MBTL1MAPK1C1S
SCHEMBL30422943 0.78 HSD17B13 (0.47) ALDH1A1MELKGRM5KDM4ELMNA
SCHEMBL25201198 0.78 HSD17B13 (0.47) ALDH1A1MELKGRM5KDM4ELMNA
SCHEMBL3456622 0.77 GRM5 (0.39) ALDH1A1GRM5ASIC3MAPK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717371-B Preparation method of low-viscosity reactive flame-retardant polyether polyol, reactive flame-retardant heat-conducting polyurethane electronic pouring sealant and preparation method thereof 山东一诺威新材料有限公司 2023-11-10 CN claimed
CN-113717371-A Preparation method of low-viscosity reactive flame-retardant polyether polyol, reactive flame-retardant heat-conducting polyurethane electronic pouring sealant and preparation method thereof 山东一诺威新材料有限公司 2021-11-30 CN claimed
US-12071436-B2 Anti-parasitic compounds and uses thereof UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-08-27 US disclosed
CN-113717371-B Preparation method of low-viscosity reactive flame-retardant polyether polyol, reactive flame-retardant heat-conducting polyurethane electronic pouring sealant and preparation method thereof 山东一诺威新材料有限公司 2023-11-10 CN disclosed
US-20220340557-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-10-27 US disclosed
CN-113717371-A Preparation method of low-viscosity reactive flame-retardant polyether polyol, reactive flame-retardant heat-conducting polyurethane electronic pouring sealant and preparation method thereof 山东一诺威新材料有限公司 2021-11-30 CN disclosed
US-11180492-B2 Anti-parasitic compounds and uses thereof UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-11-23 US disclosed
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-01-03 US disclosed
WO-2017124087-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-07-20 WO disclosed
WO-2017124087-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-07-20 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (5 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-11180492-B2 Anti-parasitic compounds and uses thereof MPO, GOT2, GOT1 ALDH1A1 1465/4885MELK 3002/4885GRM5 2612/4885
US-12071436-B2 Anti-parasitic compounds and uses thereof MPO, GOT2, GOT1 ALDH1A1 1465/4885MELK 3002/4885GRM5 2612/4885
US-20220340557-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MPO, GOT2, GOT1 ALDH1A1 1465/4885MELK 3002/4885GRM5 2612/4885
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MPO, GOT2, GOT1 ALDH1A1 1465/4885MELK 3002/4885GRM5 2612/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C ALDH1A1 646/4885MELK 783/4885GRM5 1319/4885

“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.