SCHEMBL23748655

SCHEMBL23748655

CC/C=C\CCOc1cccc(C(=O)OC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HSP90AA1 P07900 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1I2 O75469 1/20 0.38

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
SCHEMBL28614075 0.92 MAPT (0.44) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL23748692 0.92 MAPT (0.44) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL28620825 0.86 ALDH1A1 (0.44) MAPTNPSR1KDM4EALDH1A1CYP2C9
SCHEMBL23748684 0.86 ALDH1A1 (0.44) MAPTNPSR1KDM4EALDH1A1CYP2C9
SCHEMBL24571900 0.80 MAPT (0.49) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL31437079 0.80 MAPT (0.49) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL19709550 0.80 MAPT (0.47) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL23748685 0.80 KDM4E (0.53) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL28612051 0.79 KMT2A (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL23748649 0.79 KMT2A (0.44) MAPTALDH1A1LMNAKMT2AMEN1

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 MAPT 3583/4885HSP90AA1 3816/4885HTT 4209/4885

“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.