SCHEMBL6808918

SCHEMBL6808918

COc1cc(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.55
AKR1C2 P52895 3/20 0.55
BACE1 P56817 1/20 0.55
TP53 P04637 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C8 P10632 1/20 0.47
APP P05067 1/20 0.46
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
CASR P41180 2/20 0.44
PSEN1 P49768 1/20 0.43

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
SCHEMBL1395234 0.82 KDM4E (0.51) AKR1C3AKR1C2PTGDR2KDM4EALDH1A1
SCHEMBL6804643 0.81 SMN1; SMN2 (0.53) AKR1C2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6489098 0.81 SMN1; SMN2 (0.75) AKR1C3AKR1C2BACE1PTGDR2KDM4E
SCHEMBL6550819 0.81 SMN1; SMN2 (0.57) AKR1C3AKR1C2BACE1PTGDR2KDM4E
SCHEMBL29979130 0.81 SMN1; SMN2 (0.57) AKR1C3AKR1C2BACE1PTGDR2KDM4E
SCHEMBL3992911 0.81 CFD (0.51) AKR1C3AKR1C2BACE1TP53PTGDR2
SCHEMBL23768095 0.80 XDH (0.49) AKR1C3AKR1C2BACE1TP53PTGDR2
SCHEMBL6799953 0.80 RXRA (0.55) AKR1C3AKR1C2BACE1KDM4EALDH1A1
SCHEMBL8427571 0.80 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL3294513 0.79 AKR1C3 (0.56) AKR1C3AKR1C2BACE1PTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 AKR1C3 367/4885AKR1C2 503/4885BACE1 458/4885

“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.