SCHEMBL3725560

SCHEMBL3725560

Cc1cc(OC(C)C)ccc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.53
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ERN1 O75460 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP10 Q53GL7 1/20 0.42
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
TSHR P16473 1/20 0.41
TYR P14679 2/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 1/20 0.40
ACACB O00763 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
SCHEMBL24530453 0.85 ALDH1A3 (0.57) ALDH1A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31664398 0.83 SMN1; SMN2 (0.43) ALDH1A3ALDH1A1KDM4ETDP1TSHR
SCHEMBL12885258 0.81 ALDH1A1 (0.41) ALDH1A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12540995 0.81 ALDH1A1 (0.55) ALDH1A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28884153 0.80 ABL1 (0.39) ALDH1A3ALDH1A1ERN1TDP1TSHR
SCHEMBL6467176 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EERN1TDP1TSHR
SCHEMBL18812102 0.80 ALDH1A3 (0.52) ALDH1A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14285929 0.80 ALDH1A3 (0.52) ALDH1A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28586018 0.80 ACHE (0.51) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL28055985 0.80 ALDH1A3 (0.52) ALDH1A3ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195944-A ester compound and use thereof 大日本除虫菊株式会社 2019-01-11 CN disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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 (3 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL ALDH1A3 3398/4885ALDH1A1 1785/4885KDM4E 2085/4885
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC ALDH1A3 994/4885ALDH1A1 276/4885KDM4E 1375/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C ALDH1A3 3058/4885ALDH1A1 1561/4885KDM4E 2386/4885

“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.