SCHEMBL23748665

SCHEMBL23748665

CC/C=C\CCc1cccc(C(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
BID P55957 3/20 0.40
BCL2L1 Q07817 3/20 0.40
MCL1 Q07820 3/20 0.40
BAK1 Q16611 3/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
MMP2 P08253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CLCN2 P51788 1/20 0.40
ALOX15 P16050 1/20 0.40
ECE1 P42892 1/20 0.40
SGMS1 Q86VZ5 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
MUS81 Q96NY9 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28610783 0.90 F7 (0.52) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL23748651 0.90 F7 (0.52) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL2817104 0.86 FOLH1 (0.54) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL2817110 0.86 FOLH1 (0.54) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL16240898 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL235534 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL31354821 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL8395993 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL7950463 0.84 G6PD (0.47) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL18604012 0.84 G6PD (0.47) HMGB1BIDBCL2L1MCL1BAK1

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 2 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

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 HMGB1 2051/4885MRGPRX4 419/4885BID 2732/4885

“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.