SCHEMBL2291970

SCHEMBL2291970

COc1cc(C(=O)O)cc(F)c1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.57
RXRA P19793 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 2/20 0.50
PTGER1 P34995 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL17191962 0.90 MRGPRX4 (0.58) MRGPRX4MEN1KMT2APTGER1
SCHEMBL2317454 0.90 RXRA (0.61) MRGPRX4RXRAMEN1KMT2AHPGD
SCHEMBL21180266 0.90 HPGD (0.65) MRGPRX4MEN1KMT2AHPGDRAB9A
SCHEMBL1766201 0.89 RXRA (0.55) MRGPRX4RXRAMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL16143333 0.89 RXRA (0.60) MRGPRX4RXRAMEN1KMT2AHPGD
SCHEMBL15673277 0.87 RXRA (0.62) MRGPRX4RXRAMEN1KMT2AHPGD
SCHEMBL22555979 0.87 HPGD (0.48) MRGPRX4RXRAMEN1KMT2AHPGD
SCHEMBL15969027 0.87 MEN1 (0.63) MRGPRX4MEN1KMT2AHPGDLMNA
SCHEMBL29136466 0.85 HPGD (0.66) MRGPRX4RXRAMEN1KMT2AHPGD
SCHEMBL30102546 0.85 RXRA (0.62) MRGPRX4RXRAMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358453-B2 Antiviral compounds ALIOS BIOPHARMA, INC. (US) 2019-07-23 US disclosed
CN-101351442-B Amide compound and use thereof SUMITOMO CHEMICAL CO.,LTD. (JP) 2011-12-14 CN disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
EP-2151432-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP disclosed
EP-1940779-B1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO (JP) 2009-07-22 EP disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
CN-101351442-A Amide compound and use thereof SUMITOMO CHEMICAL CO (JP) 2009-01-21 CN disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
EP-1940779-A2 AMIDE COMPOUNDS AND THEIR USE Sumitomo Chemical Company, Limited (JP) 2008-07-09 EP disclosed
WO-2007049729-A2 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA MRGPRX4 3512/4885RXRA 1423/4885MEN1 3713/4885
US-10358453-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 MRGPRX4 1868/4885RXRA 2200/4885MEN1 4812/4885
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 MRGPRX4 1977/4885RXRA 790/4885MEN1 3175/4885
US-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA MRGPRX4 3472/4885RXRA 1303/4885MEN1 3820/4885

“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.