SCHEMBL15054815

SCHEMBL15054815

C=C(C(C)=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ GSK3B P49841 2/20 0.45
▸ LMNA P02545 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ OGG1 O15527 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42

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
SCHEMBL21679933 0.80 CES2 (0.52) CES2CES1CA1CA2GSK3B
SCHEMBL123450 0.79 CES2 (0.54) CES2CES1CA1CA2GSK3B
SCHEMBL13176937 0.79 HSD17B1 (0.52) CES2CA1CA2LMNAMAPT
SCHEMBL5382720 0.79 ALDH1A1 (0.54) CES2CES1GSK3BLMNAMAPT
SCHEMBL27720360 0.77 CES2 (0.52) CES2CES1CA1CA2MAPT
SCHEMBL2080074 0.77 CES2 (0.52) CES2CES1CA1CA2GSK3B
SCHEMBL17591087 0.77 MAPT (0.48) CA1CA2LMNAMAPTRAB9A
SCHEMBL1380046 0.77 CES2 (0.52) CES2CES1CA1CA2GSK3B
SCHEMBL10888312 0.77 CES2 (0.65) CES2CES1CA1CA2GSK3B
SCHEMBL536908 0.77 MEN1 (0.48) CES2CES1CA1CA2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125919-A Preparation method of conjugated triene compound 华南理工大学 2024-06-04 — — CN disclosed
CN-112441997-B Method for synthesizing alpha- (2-tetrahydrofuryl) -acetophenone compound 浙江工业大学 2022-03-15 — — CN disclosed
CN-112441997-A Method for synthesizing alpha- (2-tetrahydrofuryl) -acetophenone compound 浙江工业大学 2021-03-05 — — CN disclosed
US-9120721-B2 Method of preparing chiral ketones from aldehydes NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-09-01 — — US disclosed
US-9120721-B2 Method of preparing chiral ketones from aldehydes NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-09-01 — — US disclosed
US-9120721-B2 Method of preparing chiral ketones from aldehydes NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-09-01 — — US disclosed
US-20140309459-A1 METHOD OF PREPARING CHIRAL KETONES FROM ALDEHYDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-16 — — US disclosed
US-20140309459-A1 METHOD OF PREPARING CHIRAL KETONES FROM ALDEHYDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-16 — — US disclosed
US-20140309459-A1 METHOD OF PREPARING CHIRAL KETONES FROM ALDEHYDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-16 — — US disclosed
WO-2013095301-A1 METHOD OF PREPARING CHIRAL KETONES FROM ALDEHYDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 — — 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 (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-20140309459-A1 METHOD OF PREPARING CHIRAL KETONES FROM ALDEHYDES CBR1, CBR3, AKR1C3 CES2 611/4885CES1 391/4885CA1 532/4885

“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.

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