SCHEMBL729635

SCHEMBL729635

O=CCOC(=O)CCC(=O)Oc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
ELANE P08246 2/20 0.36
MIF P14174 1/20 0.35
GAA P10253 2/20 0.35
XBP1 P17861 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ESR1 P03372 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL689206 0.84 KMT2A (0.65) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL28770121 0.80 KMT2A (0.57) KMT2AMAPTALDH1A1LMNAHTT
Acetaldehyde SCHEMBL729633 0.80 KMT2A (0.53) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL27754195 0.77 KMT2A (0.60) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL23174851 0.76 KMT2A (0.58) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL689043 0.76 KMT2A (0.63) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL13083486 0.75 KMT2A (0.51) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL7918240 0.75 TSHR (0.39) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4647891 0.74 KMT2A (0.53) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL689052 0.74 KMT2A (0.61) KMT2AMAPTALDH1A1LMNAHTT

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 1675/4885MAPT 2923/4885ALDH1A1 242/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA KMT2A 3246/4885MAPT 2745/4885ALDH1A1 753/4885

“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.