SCHEMBL14280732

SCHEMBL14280732

CC(C)(C(=O)O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
PKM P14618 1/20 0.44
MAP4K4 O95819 1/20 0.42
S1PR2 O95136 1/20 0.41
TERT O14746 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
PPARG P37231 3/20 0.39
KMO O15229 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3936634 0.86 AKR1C3 (0.51) AKR1C3S1PR2CYP4F2CYP4A11NPC1
SCHEMBL1356271 0.78 AKR1C3 (0.52) AKR1C3AKR1C2CYP4F2CYP4A11NPC1
SCHEMBL1628254 0.77 AKR1C3 (0.50) AKR1C3AKR1C2PKMMAP4K4MAPT
SCHEMBL15577951 0.76 F10 (0.49) AKR1C3NPSR1NPC1POLBCYP2C9
SCHEMBL29386478 0.76 F10 (0.49) AKR1C3NPSR1NPC1POLBCYP2C9
SCHEMBL15578353 0.76 HDAC8 (0.51) AKR1C3PKMNPC1POLBCYP2C9
SCHEMBL29386858 0.76 HDAC8 (0.51) AKR1C3PKMNPC1POLBCYP2C9
SCHEMBL2569034 0.75 CYP4F2 (0.44) AKR1C3AKR1C2PKMMAP4K4S1PR2
SCHEMBL9719786 0.73 AKR1C3 (0.51) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL8783056 0.73 AKR1C3 (0.71) AKR1C3NPC1POLBCYP2C9RAB9A

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-20080021085-A1 METHOD OF REDUCING ABETA42 AND TREATING DISEASES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-01-24 US disclosed
US-20080021085-A1 METHOD OF REDUCING ABETA42 AND TREATING DISEASES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-01-24 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-20080021085-A1 METHOD OF REDUCING ABETA42 AND TREATING DISEASES BACE1, BACE2, APP AKR1C3 561/4885AKR1C2 719/4885PKM 3948/4885

“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.