SCHEMBL23748727

SCHEMBL23748727

CC/C=C\COc1cc(OC)c(C(=O)O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SLC37A4 O43826 1/20 0.40
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
PTGS1 P23219 1/20 0.36
PLA2G2A P14555 1/20 0.36
MKNK2 Q9HBH9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28627299 1.00 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL23748607 0.81 CYP3A4 (0.38) CYP3A4MAPK1SMN1; SMN2PTGS1PLA2G2A
SCHEMBL23748610 0.81 CYP3A4 (0.38) CYP3A4MAPK1SMN1; SMN2PTGS1PLA2G2A
SCHEMBL23748719 0.77 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL23748716 0.77 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL466144 0.74 CYP3A4 (0.60) CA12CA1CA2CA7CA9
SCHEMBL24087411 0.73 CYP3A4 (0.46) CYP3A4MAPK1SMN1; SMN2KMT2A
SCHEMBL23748627 0.71 PLA2G4B (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL23748660 0.71 PLA2G4B (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL10452299 0.71 PLA2G4B (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-12-09 US disclosed
EP-3864001-A1 ROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-08-18 EP disclosed
CN-113166024-A Aromatic compounds and their medical use 巴斯夫股份公司 2021-07-23 CN 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 (1 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-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF GLS2, FFAR3, SLC10A1 CA12 1054/4885CA1 1272/4885CA2 794/4885

“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.