SCHEMBL2293283

SCHEMBL2293283

O=Cc1ccccc1COc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAOB P27338 10/20 0.44
MAOA P21397 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MAPT P10636 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
APP P05067 1/20 0.41
SCN3A Q9NY46 1/20 0.41
NR4A2 P43354 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1200712 0.86 SMN1; SMN2 (0.50) ALDH1A1HPGDHTTSMN1; SMN2MAOB
SCHEMBL1539485 0.83 POLB (0.48) ALDH1A1HPGDHTTSMN1; SMN2FFAR1
SCHEMBL28497262 0.83 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2FFAR1
SCHEMBL5322086 0.83 NR4A2 (0.45) ALDH1A1HPGDHTTSMN1; SMN2FFAR1
SCHEMBL28510306 0.83 MAOB (0.54) FFAR1MAOBMAOANR4A2
SCHEMBL9127974 0.81 MAOB (0.54) ALDH1A1HPGDHTTSMN1; SMN2FFAR1
SCHEMBL1539478 0.81 MAPT (0.50) ALDH1A1HPGDSMN1; SMN2FFAR1FFAR4
SCHEMBL2293305 0.80 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL28491581 0.80 SMN1; SMN2 (0.44) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL28510243 0.80 RAB9A (0.42) ALDH1A1HPGDHTTSMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107522654-B Novel alpha-aminoamide derivatives and medicinal use thereof 中国人民解放军军事医学科学院毒物药物研究所 2020-09-01 CN 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

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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 ALDH1A1 83/4885HPGD 1562/4885HTT 1687/4885

“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.