SCHEMBL18519306

SCHEMBL18519306

O=C(CCc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CNR1 P21554 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8491907 0.77 CNR1 (0.34) HTTCNR1
SCHEMBL13670601 0.75 HTT (0.43) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL8827233 0.75 HTT (0.38) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL2345633 0.75 FFAR1 (0.43)
SCHEMBL30572278 0.75 CAPN1 (0.38) CNR1
SCHEMBL23692883 0.73 FASN (0.42) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL10752209 0.73 ALDH1A1 (0.43) CNR1PKMSMN1; SMN2
SCHEMBL7198078 0.73 MAPT (0.53) HTTCES1SMN1; SMN2
SCHEMBL7024101 0.71 HTT (0.48) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL26976906 0.70 HTR7 (0.52) HTTCES2CES1PKMSMN1; SMN2

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-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 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-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A HTT 24/4885SLC5A1 4405/4885SLC5A2 4195/4885

“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.