SCHEMBL4367355

SCHEMBL4367355

COc1cc(OC)c(C(=O)O)cc1C=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 4/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HPGD P15428 3/20 0.51
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ERN1 O75460 5/20 0.48
PRKDC P78527 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
NFE2L2 Q16236 1/20 0.44
APP P05067 1/20 0.43
CYP3A4 P08684 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
MAPT P10636 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
SCHEMBL29956928 1.00 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL11843446 0.86 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL10973608 0.85 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL14581612 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL19445561 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL3911024 0.82 PRKDC (0.68) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL12444067 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ETDP1HPGDLCK
SCHEMBL17632769 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1HPGD
Hydrochloric Acid SCHEMBL28599506 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1HPGDLCK
SCHEMBL29765241 0.80 LCK (0.73) ALDH1A1KDM4EHPGDLCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
US-8436197-B2 Palladium complexes and polymerization and coupling processes thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION (US) 2013-05-07 US disclosed
US-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION 2009-04-30 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 (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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 ALDH1A1 1614/4885KDM4E 2537/4885TSHR 1172/4885
US-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof DDT, PDCD2L, PDCD1LG2 ALDH1A1 1671/4885KDM4E 1529/4885TSHR 4731/4885

“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.