SCHEMBL5163055

SCHEMBL5163055

O[C@H]1CCCCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 10/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 2/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL1149307 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL3414993 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL15061117 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL3693152 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL3869911 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL14026071 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL8746667 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL407263 1.00 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL15464620 0.98 SLC18A3 (0.57) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL15464618 0.98 SLC18A3 (0.57) SLC18A3MEN1KMT2ACYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-29 US disclosed
US-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-29 US disclosed
US-20210179535-A1 ALPHA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-06-17 US disclosed
US-10968163-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-04-06 US disclosed
WO-2012113889-A1 PROCESSES FOR THE STEREOSELECTIVE PREPARATION OF P-CHIRAL FOUR -COORDINATED PHOSPHORUS BORANE COMPOUNDS AND P-CHIRAL THREE-COORDINATED PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2012-08-30 WO disclosed
US-7507843-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-24 US disclosed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 EP disclosed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 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 (3 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-20210179535-A1 ALPHA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP4 SLC18A3 1426/4885MEN1 4880/4885KMT2A 4609/4885
US-10968163-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 SLC18A3 1357/4885MEN1 4877/4885KMT2A 4537/4885
US-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 SLC18A3 1426/4885MEN1 4880/4885KMT2A 4609/4885

“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.