SCHEMBL4597258

SCHEMBL4597258

O=C(O)C1(c2ccc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c2)CCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.72
AKR1C3 P42330 5/20 0.57
AKR1C2 P52895 5/20 0.57
AKR1C1 Q04828 3/20 0.57
CYP2C19 P33261 5/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2C9 P11712 5/20 0.50
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
CYP2D6 P10635 2/20 0.50
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1C4 P17516 1/20 0.45
KDM1A O60341 1/20 0.44
SLC22A12 Q96S37 1/20 0.42

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
SCHEMBL4597844 0.97 APP (0.72) APPAKR1C3AKR1C2AKR1C1CYP2C19
SCHEMBL16868072 0.84 APP (0.58) APPAKR1C3AKR1C2AKR1C1LTB4R
SCHEMBL1373506 0.84 APP (1.00) APPAKR1C3AKR1C2AKR1C1CYP2C19
SCHEMBL1203183 0.83 APP (0.61) APPAKR1C3AKR1C2AKR1C1CYP2C19
SCHEMBL1202615 0.83 APP (0.58) APPAKR1C3AKR1C2AKR1C1CYP2C19
SCHEMBL4597113 0.83 APP (0.60) APPAKR1C3AKR1C2AKR1C1CYP2C19
SCHEMBL1201831 0.81 APP (0.57) APPAKR1C3AKR1C2AKR1C1CYP2C19
SCHEMBL1203311 0.80 APP (0.54) APPAKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL694972 0.77 APP (0.66) APPAKR1C3AKR1C2AKR1C1CYP2C19
SCHEMBL2850290 0.76 APP (0.52) APPAKR1C3AKR1C2AKR1C1CYP2C19

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-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

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 APP 5/4885AKR1C3 521/4885AKR1C2 476/4885

“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.