SCHEMBL6500539

SCHEMBL6500539

CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.61
AKR1C2 P52895 6/20 0.61
CYP2C8 P10632 1/20 0.61
APP P05067 2/20 0.49
BACE1 P56817 1/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
MAP4K4 O95819 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
RXRG P48443 1/20 0.46
SRD5A2 P31213 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL6497960 0.89 CYP2C8 (0.58) AKR1C3AKR1C2CYP2C8APPBACE1
SCHEMBL6489777 0.85 AKR1C3 (0.51) AKR1C3AKR1C2CYP2C8APPBACE1
SCHEMBL6491531 0.82 CYP2C8 (0.56) AKR1C3AKR1C2CYP2C8APPBACE1
SCHEMBL6498131 0.81 AKR1C3 (0.57) AKR1C3AKR1C2MAP4K4HSD17B10KDM4E
SCHEMBL6637234 0.81 AKR1C3 (0.55) AKR1C3AKR1C2HSD17B10FOLH1
SCHEMBL6492505 0.80 CYP2C8 (0.57) CYP2C8APPPSEN1PSEN2APH1B
SCHEMBL3909846 0.80 CYP2C8 (0.57) AKR1C3AKR1C2CYP2C8APPBACE1
SCHEMBL5937167 0.79 CYP2C8 (0.60) AKR1C3AKR1C2CYP2C8APPBACE1
SCHEMBL593241 0.79 CYP2C8 (0.52) AKR1C3AKR1C2CYP2C8APPRXRA
SCHEMBL6489098 0.78 SMN1; SMN2 (0.75) AKR1C3AKR1C2CYP2C8APPBACE1

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 AKR1C3 412/4885AKR1C2 679/4885CYP2C8 710/4885

“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.