SCHEMBL1656381

SCHEMBL1656381

ClCCCC(Cl)COCC(Cl)CCCCl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10617584 0.92 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL1775891 0.85
SCHEMBL11719502 0.78 CYP3A4 (0.36) ALDH1A1TSHRTDP1
SCHEMBL11759125 0.74 LMNA (0.39) ALDH1A1TSHR
SCHEMBL671120 0.71
SCHEMBL11458518 0.71
SCHEMBL1627599 0.71 TP53 (0.42) TSHRTDP1
SCHEMBL11063566 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11017156 0.71
SCHEMBL11639851 0.71 CA12 (0.30)

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-7923563-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-12 US disclosed
EP-1808432-B1 AMORPHOUS FORM OF CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2010-02-24 EP disclosed
US-20090203916-A1 Amorphous object of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-1808432-A1 AMORPHOUS OBJECT OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-07-18 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-20090203916-A1 Amorphous object of cinnamide compound BACE1, APP, PSEN1 ALDH1A1 442/4885TSHR 4763/4885TDP1 2067/4885

“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.