SCHEMBL14280733

SCHEMBL14280733

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.51
AKR1C3 P42330 5/20 0.48
AKR1C2 P52895 5/20 0.48
AKR1C1 Q04828 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCKAR P32238 1/20 0.41

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
SCHEMBL5110019 0.87 PTGS1 (0.67) PTGS1AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL1048271 0.83 PTGS1 (0.75) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL2020322 0.81 AKR1C3 (0.70) PTGS1AKR1C3AKR1C2AKR1C1
SCHEMBL2109907 0.81 MEN1 (0.63) PTGS1AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL11157909 0.78 AKR1C3 (0.53) PTGS1AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6649963 0.77 PTGS1 (0.51) PTGS1AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL10455351 0.77 KMT2A (0.57) PTGS1AKR1C3AKR1C2AKR1C1KMT2A
SCHEMBL28610276 0.77 AKR1C3 (0.46) PTGS1AKR1C3AKR1C2AKR1C1MEN1
SCHEMBL1049056 0.76 PTGS1 (0.47) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL28575917 0.76 PTGS1 (0.56) PTGS1AKR1C3AKR1C2AKR1C1MEN1

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 PTGS1 1377/4885AKR1C3 561/4885AKR1C2 719/4885

“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.