Acetaldehyde

Acetaldehyde

SCHEMBL729633

CC=O.O=C(O)CCC(=O)Oc1ccc(O)cc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A1 P04798 1/20 0.41
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
ESR2 Q92731 1/20 0.40
ESRRB O95718 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PCNA P12004 1/20 0.39
ELANE P08246 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL28770121 0.91 KMT2A (0.57) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL689206 0.84 KMT2A (0.65) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL18473458 0.83 ESR1 (0.51) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL8521336 0.81 KMT2A (0.56) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL729635 0.80 KMT2A (0.49) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL27705663 0.79 KMT2A (0.54) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL27686592 0.79 KMT2A (0.54) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL27465956 0.79 KMT2A (0.54) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL19690708 0.79 HTT (0.66) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL11579236 0.79 KMT2A (0.60) KMT2AALDH1A1MAPTLMNAHTT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361310-A2 BIOSYNTHESIS OF COMMODITY CHEMICALS Bio Architecture Lab, Inc. (US) 2011-08-31 EP claimed
US-20100185017-A1 BIOSYNTHESIS OF COMMODITY CHEMICALS BIO ARCHITECTURE LAB, INC. 2010-07-22 US claimed
WO-2010068921-A2 BIOSYNTHESIS OF COMMODITY CHEMICALS BIO ARCHITECTURE LAB, INC. (US) 2010-06-17 WO claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
US-20130252312-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2013-09-26 US disclosed
US-8318473-B2 Biofuel production BIO ARCHITECTURE LAB, INC. (US) 2012-11-27 US disclosed
US-8318464-B2 Biofuel production BIO ARCHITECTURE LAB, INC. (US) 2012-11-27 US disclosed
US-8211689-B2 Biofuel production BIO ARCHITECTURE LAB, INC. (US) 2012-07-03 US disclosed
US-8198056-B2 Biofuel production BIO ARCHITECTURE LAB, INC. (US) 2012-06-12 US disclosed
US-20120142081-A1 BIOSYNTHESIS OF COMMODITY CHEMICALS BIO ARCHITECTURE LAB, INC. (US) 2012-06-07 US disclosed
WO-2010068921-A2 BIOSYNTHESIS OF COMMODITY CHEMICALS BIO ARCHITECTURE LAB, INC. (US) 2010-06-17 WO disclosed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP disclosed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US disclosed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US disclosed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 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 (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-20100185017-A1 BIOSYNTHESIS OF COMMODITY CHEMICALS COASY, HSD17B14, FASN KMT2A 1675/4885ALDH1A1 242/4885MAPT 2923/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA KMT2A 3246/4885ALDH1A1 753/4885MAPT 2745/4885

“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.