SCHEMBL19744249

SCHEMBL19744249

COc1cc(Cl)ccc1O/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
TTR P02766 1/20 0.45
LMNA P02545 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
AR P10275 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
AMY1A P0DUB6 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL29986082 1.00 ALDH1A1 (0.45) ALDH1A1HPGDTTRLMNACYP11B1
SCHEMBL19744270 1.00 ALDH1A1 (0.45) ALDH1A1HPGDTTRLMNACYP11B1
SCHEMBL19744207 0.82 FFAR1 (0.41) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL19744008 0.82 FFAR1 (0.41) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL4985625 0.81 PPARA (0.46) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4985630 0.81 PPARA (0.46) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4985634 0.81 PPARA (0.46) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL19744074 0.80 SMN1; SMN2 (0.46) ALDH1A1HPGDLMNAKMT2AKDM4E
SCHEMBL19743940 0.80 SMN1; SMN2 (0.46) ALDH1A1HPGDLMNAKMT2AKDM4E
SCHEMBL19744257 0.77 MEN1 (0.43) ALDH1A1TTRLMNACYP11B1CYP11B2

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-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
EP-3472141-A1 ANTI-INFECTIVE AGENTS University Of Dundee (GB) 2019-04-24 EP disclosed
WO-2017221002-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2017-12-28 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-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 ALDH1A1 3749/4885HPGD 3201/4885TTR 4850/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 ALDH1A1 3685/4885HPGD 3133/4885TTR 4845/4885

“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.