SCHEMBL4597658

SCHEMBL4597658

CC(C)c1ccc(-c2cc(C(C)C(=O)O)ccc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.74
AKR1C2 P52895 13/20 0.74
PTGS1 P23219 4/20 0.52
PTGS2 P35354 3/20 0.52
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
KCNH2 Q12809 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
APP P05067 2/20 0.51
FABP2 P12104 1/20 0.51
TSHR P16473 1/20 0.51
AKR1C4 P17516 1/20 0.51
ADRA2B P18089 1/20 0.51

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
SCHEMBL1372793 0.85 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1PTGS2PSEN1
SCHEMBL4596111 0.83 AKR1C3 (0.61) AKR1C3AKR1C2PTGS1PTGS2PSEN1
SCHEMBL2848165 0.82 AKR1C3 (0.67) AKR1C3AKR1C2PTGS1PTGS2PSEN1
SCHEMBL4597574 0.81 PSEN1 (0.80) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4597117 0.80 PSEN1 (0.72) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4597477 0.79 AKR1C3 (0.56) AKR1C3AKR1C2PTGS1PTGS2PSEN1
SCHEMBL1797371 0.79 AKR1C3 (0.65) AKR1C3AKR1C2PTGS1PTGS2PSEN1
SCHEMBL2844330 0.79 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1PTGS2PSEN1
SCHEMBL4597659 0.79 PSEN1 (0.61) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL2848167 0.79 AKR1C3 (0.66) AKR1C3AKR1C2PTGS1PTGS2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1993120-B Arylacetic acids and related compounds for treatment of alzheimer's disease MERCK SHARP & DOHME BLURTON PETER 2010-05-05 CN disclosed
US-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP disclosed
CN-1993120-A Arylacetic acids and related compounds for treatment of alzheimer's disease MERCK SHARP & DOHME BLURTON PE (GB) 2007-07-04 CN 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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 AKR1C3 521/4885AKR1C2 476/4885PTGS1 1855/4885

“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.