SCHEMBL14246789

SCHEMBL14246789

O=C(O)C1(C(=O)OC2c3ccccc3-c3ccccc32)CCCCN1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GAA P10253 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
FABP5 Q01469 2/20 0.31
CHRM3 P20309 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
SCHEMBL30851322 0.79 FABP5 (0.43) TSHRFABP5
SCHEMBL28430246 0.74 FABP5 (0.45) TSHRFABP5
SCHEMBL28430244 0.74 FABP5 (0.45) TSHRFABP5
SCHEMBL28896721 0.74 FABP5 (0.45) TSHRFABP5
SCHEMBL3660749 0.73 DDB1 (0.48) MAPK1ALDH1A1
SCHEMBL8141759 0.73 DDB1 (0.48) MAPK1ALDH1A1
SCHEMBL28200534 0.70
SCHEMBL3934353 0.69 ARG1 (0.34) AKR1C1
SCHEMBL24093870 0.69 DDB1 (0.49) MAPK1ALDH1A1
SCHEMBL10670488 0.69 DDB1 (0.49) MAPK1ALDH1A1

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-20160333054-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS NIH - DEITR 2016-11-17 US disclosed
US-9260484-B2 Small molecule composite surfaces as inhibitors of protein-protein interactions OHIO STATE INNOVATION FOUNDATION (US) 2016-02-16 US disclosed
US-20140200186-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS NIH - DEITR 2014-07-17 US disclosed
WO-2012174489-A2 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS THE OHIO STATE UNIVERSITY (US) 2012-12-20 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 (2 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-20140200186-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS PAIP1, ECPAS, AIP POLB 4058/4885MAPK1 2632/4885MAPT 3430/4885
US-20160333054-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS PAIP1, ECPAS, AIP POLB 4058/4885MAPK1 2632/4885MAPT 3430/4885

“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.