SCHEMBL6932787

SCHEMBL6932787

C=Cc1cc(OC(C)C)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ALDH1A3 P47895 1/20 0.39
NFE2L2 Q16236 1/20 0.38
KMT2A Q03164 2/20 0.38
KAT6A Q92794 1/20 0.37
PARP10 Q53GL7 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
SYK P43405 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
FFAR4 Q5NUL3 5/20 0.35
MDM2 Q00987 2/20 0.35
TRPV3 Q8NET8 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL759273 0.83 FFAR4 (0.40) NFE2L2FFAR4
SCHEMBL4850079 0.83 FFAR4 (0.40) NFE2L2FFAR4
SCHEMBL6928613 0.82 ALDH1A3 (0.52) ALDH1A1ALDH1A3NFE2L2KMT2AKAT6A
SCHEMBL12885255 0.80 ALDH1A1 (0.41) ALDH1A1ALDH1A3KMT2APARP10BRD4
SCHEMBL6935704 0.80 ALDH1A1 (0.41) ALDH1A1ALDH1A3KMT2APARP10BRD4
SCHEMBL5442396 0.79 NFE2L2 (0.49) ALDH1A1NFE2L2
SCHEMBL30829775 0.77 ALDH1A1 (0.47) ALDH1A1ALDH1A3KMT2AKAT6APARP10
SCHEMBL1020456 0.77 ALDH1A1 (0.47) ALDH1A1ALDH1A3KMT2AKAT6APARP10
SCHEMBL12885258 0.76 ALDH1A1 (0.41) ALDH1A1ALDH1A3KMT2APARP10BRD4
SCHEMBL16956264 0.75 NQO1 (0.45) ALDH1A1KMT2ASYKFFAR4

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
EP-1371657-A1 Transition-metal complexes and use thereof in transition-metal catalysed reactions.. Bayer Aktiengesellschaft (DE) 2003-12-17 EP disclosed
US-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions BAYER AKTIENGESELLSCHAFT (DE) 2003-11-27 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 (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-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions AP1M1, AP3M1, CYC1 ALDH1A1 1042/4885ALDH1A3 3225/4885NFE2L2 222/4885

“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.