SCHEMBL8439338

SCHEMBL8439338

C1=CCC(OCc2ccccc2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.44
PSEN2 P49810 4/20 0.44
APH1B Q8WW43 4/20 0.44
NCSTN Q92542 4/20 0.44
APH1A Q96BI3 4/20 0.44
PSENEN Q9NZ42 4/20 0.44
TSHR P16473 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
IDO1 P14902 1/20 0.38
CYP2C19 P33261 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
DPP4 P27487 1/20 0.36
AGXT P21549 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31411110 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28778158 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7668354 0.78 TSHR (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11440021 0.76 TSHR (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Acetic Acid SCHEMBL29773888 0.75 ALDH1A1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11427031 0.74 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31108135 0.74 TSHR (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11840000 0.74 TSHR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31305278 0.74 CTSL (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28226065 0.74 TSHR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents GENZYME CORPORATION 2003-03-13 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-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents UGCG, UGGT1, LCLAT1 PSEN1 4332/4885PSEN2 4208/4885APH1B 2386/4885

“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.