SCHEMBL2290442

SCHEMBL2290442

Cc1ccc(C)c(OCc2ccccc2Br)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
IDO1 P14902 2/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL30000324 1.00 FFAR4 (0.50) FFAR4ALDH1A1MAPTNPC1RAB9A
SCHEMBL8592978 0.88 SMN1; SMN2 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2288552 0.87 FFAR4 (0.60) FFAR4ALDH1A1MAPTNPC1RAB9A
SCHEMBL30023195 0.87 FFAR4 (0.60) FFAR4ALDH1A1MAPTNPC1RAB9A
SCHEMBL27814043 0.85 SMN1; SMN2 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2289824 0.84 L3MBTL1 (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15663028 0.84 SMN1; SMN2 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13794084 0.83 KDM4E (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30342568 0.83 ALDH1A1 (0.57) FFAR4ALDH1A1MAPTNPC1RAB9A
SCHEMBL2292785 0.83 ALDH1A1 (0.57) FFAR4ALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409207-A Preparation method of dimoxystrobin 新发药业有限公司 2021-02-26 CN disclosed
CN-112409206-A Preparation method of kresoxim-methyl 新发药业有限公司 2021-02-26 CN disclosed
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP disclosed
EP-0889033-B1 ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO (JP) 2003-01-08 EP disclosed
CN-1094487-C Oxime derivative and fungicide containing the same as active ingredient SHIONOGI & CO (JP) 2002-11-20 CN disclosed
US-6362212-B1 POTENT FUNGICIDAL ACTIVITY SHIONOGI & COMPANY, LTD. (JP) 2002-03-26 US disclosed
US-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient TAKASE AKIRA (JP) 2002-03-14 US disclosed
US-6329371-B1 HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-12-11 US disclosed
US-6268312-B1 FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-07-31 US disclosed
US-6136837-A α-substituted benzyl heterocyclic derivatives, intermediates for producing the same and agrochemical composition containing the same as active ingredient SHIONOGI & CO., LTD. (JP) 2000-10-24 US disclosed
US-6048885-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 2000-04-11 US disclosed
US-5965740-A POTENT FUNGICIDAL AND INSECTICIDAL ACTIVITY; LOW TOXICITY SHIONOGI & CO., LTD. (JP) 1999-10-12 US disclosed
EP-0889033-A1 ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1999-01-07 EP disclosed
CN-1144524-A Oxime derivative and fungicide containing the same as active ingredient SHIONOGI & CO (JP) 1997-03-05 CN disclosed
EP-0754684-A1 OXIME DERIVATIVE AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1997-01-22 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 (2 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-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient MSMO1, O60361, CBR1 FFAR4 2742/4885ALDH1A1 1113/4885MAPT 4733/4885
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 FFAR4 3092/4885ALDH1A1 83/4885MAPT 3284/4885

“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.