SCHEMBL6928613

SCHEMBL6928613

CC(C)Oc1ccc(F)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.52
ERN1 O75460 3/20 0.44
FFAR4 Q5NUL3 7/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.42
PARP10 Q53GL7 1/20 0.41
KAT6A Q92794 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL14285929 0.86 ALDH1A3 (0.52) ALDH1A3ERN1FFAR4ALDH1A1KMT2A
SCHEMBL20237750 0.84 DRD1 (0.49) ERN1ALDH1A1KMT2AHPGDNFE2L2
SCHEMBL29668957 0.84 DRD1 (0.49) ERN1ALDH1A1KMT2AHPGDNFE2L2
SCHEMBL24530453 0.83 ALDH1A3 (0.57) ALDH1A3ERN1ALDH1A1KMT2APARP10
SCHEMBL14689988 0.83 ALDH1A3 (0.42) ALDH1A3ERN1FFAR4ALDH1A1
SCHEMBL6932787 0.82 ALDH1A1 (0.40) ALDH1A3FFAR4ALDH1A1KMT2APARP10
SCHEMBL2599795 0.82 FFAR4 (0.47) ALDH1A3ERN1FFAR4
SCHEMBL2599711 0.81 ALDH1A3 (0.44) ALDH1A3ERN1FFAR4ALDH1A1KMT2A
SCHEMBL6930848 0.80 ALDH1A3 (0.53) ALDH1A3ERN1FFAR4ALDH1A1KMT2A
SCHEMBL387186 0.79 ERN1 (0.61) ERN1ALDH1A1KDM4ENFE2L2

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 ALDH1A3 3225/4885ERN1 1660/4885FFAR4 4866/4885

“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.