Benzaldehyde

Benzaldehyde

SCHEMBL1129906

CCC=O.O=Cc1ccccc1

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
CYP2A6 P11509 4/20 0.70
ALDH3A1 P30838 1/20 0.46
ALDH1A3 P47895 1/20 0.46
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.41
ALOX5 P09917 1/20 0.41
KMT2A Q03164 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.39
TYR P14679 1/20 0.39
CYP2A13 Q16696 1/20 0.39
PPARG P37231 1/20 0.39
UNG P13051 1/20 0.39

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
Benzaldehyde SCHEMBL27520789 0.90 ALDH1A1 (0.78) ALDH1A1CYP2A6ALDH3A1ALDH1A3MAPK1
Benzaldehyde SCHEMBL27780817 0.87 ALDH1A1 (0.74) ALDH1A1CYP2A6ALDH3A1ALDH1A3MAPK1
Benzaldehyde SCHEMBL3088932 0.87 ALDH1A1 (0.74) ALDH1A1CYP2A6ALDH3A1ALDH1A3MAPK1
Benzaldehyde SCHEMBL7038566 0.85 ALDH1A1 (0.70) ALDH1A1CYP2A6ALDH3A1ALDH1A3MAPK1
Benzaldehyde SCHEMBL28089327 0.85 ALDH1A1 (0.70) ALDH1A1CYP2A6ALDH3A1ALDH1A3MAPK1
Benzaldehyde SCHEMBL28807025 0.85 ALDH1A1 (0.70) ALDH1A1CYP2A6ALDH3A1ALDH1A3MAPK1
Benzaldehyde SCHEMBL9780149 0.85 ALDH1A1 (0.70) ALDH1A1CYP2A6ALDH3A1ALDH1A3MAPK1
Benzaldehyde SCHEMBL27780794 0.84 ALDH1A1 (0.88) ALDH1A1CYP2A6MAPK1TDP1TSHR
Benzaldehyde SCHEMBL9236967 0.84
Benzaldehyde SCHEMBL22400699 0.84 ALDH1A1 (1.00) ALDH1A1CYP2A6MAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104244932-B Inhibitors of arginase and their therapeutic applications 马尔斯公司 2017-02-22 CN disclosed
US-8865658-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-21 US disclosed
US-20120315686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2012-12-13 US disclosed
US-8183326-B2 A living polymer endcapped with an azine compound; uniformly distributed reinforcing particulate fillers; tire treads with increased balance between rolling resistance and traction BRIDGESTONE CORPORATION (JP) 2012-05-22 US disclosed
EP-2044129-B1 VULCANIZATE COMPRISING AZINE FUNCTIONALIZED POLYMER BRIDGESTONE CORP (JP) 2011-02-16 EP disclosed
US-20080027171-A1 A living polymer endcapped with an azine compound; uniformly distributed reinforcing particulate fillers; tire treads with increased balance between rolling resistance and traction BRIDGESTONE CORPORATION 2008-01-31 US disclosed
US-4196026-A LOW MOLECULAR WEIGHT WALKER FRANKLIN E 1980-04-01 US 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-20120315686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DNPEP, ANPEP ALDH1A1 4035/4885CYP2A6 4452/4885ALDH3A1 3388/4885

“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.