SCHEMBL4597689

SCHEMBL4597689

COC(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc(C(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.48
LMNA P02545 1/20 0.48
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
FFAR1 O14842 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
SCN9A Q15858 1/20 0.41
CETP P11597 2/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL4597814 0.90 PSEN1 (0.58) CASRPSEN1PSEN2APH1BNCSTN
SCHEMBL4597766 0.88 CASR (0.48) CASRLMNAPSEN1PSEN2APH1B
SCHEMBL4624986 0.87 PSEN1 (0.60) CASRLMNAPSEN1PSEN2APH1B
SCHEMBL4597184 0.79 PSEN1 (0.70) CASRLMNAPSEN1PSEN2APH1B
SCHEMBL4597252 0.77 PPARD (0.60) CASRPSEN1PSEN2APH1BNCSTN
SCHEMBL2846688 0.77 PSEN1 (0.56) CASRLMNAPSEN1PSEN2APH1B
SCHEMBL7811140 0.76 PSEN1 (0.50) CASRLMNAPSEN1PSEN2APH1B
SCHEMBL27683654 0.75 GAA (0.54) THRB
SCHEMBL1202458 0.75 PSEN1 (0.46) CASRLMNAPSEN1PSEN2APH1B
SCHEMBL2844382 0.75 CASR (0.50) CASRLMNAPSEN1PSEN2APH1B

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
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
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 WO 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 CASR 3894/4885LMNA 2620/4885PSEN1 2/4885

“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.