SCHEMBL17816558

SCHEMBL17816558

C=CCC(CC#Cc1ccccc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
PIN1 Q13526 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
MMP8 P22894 1/20 0.36
GRM5 P41594 1/20 0.35
FFAR1 O14842 1/20 0.35
HTT P42858 3/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13259152 0.88 GAA (0.51) GAAPIN1MEN1KMT2ASMN1; SMN2
SCHEMBL13259161 0.83 GAA (0.47) GAAPIN1MEN1KMT2ASMN1; SMN2
SCHEMBL16058422 0.78 GAA (0.53) GAAPIN1MEN1KMT2AALDH1A1
SCHEMBL24425847 0.78 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6286922 0.77 ALDH1A1 (0.52) MAPTPIN1MAPK1MEN1KMT2A
SCHEMBL13108973 0.76 MEN1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL5820577 0.76 MEN1 (0.41) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17487077 0.75 GAA (0.50) GAAPIN1MEN1KMT2AALDH1A1
SCHEMBL283884 0.73 MEN1 (0.46) GAAPIN1MAPK1MEN1KMT2A
SCHEMBL28987087 0.73 PIN1 (0.40) MAPTPIN1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105754256-A PVC (polyvinyl chloride) packing material and packing bag using same 安徽鑫雅包装制品有限公司 2016-07-13 CN disclosed
US-20160159934-A1 USES OF CERTAIN PLATINOID ACCUMULATING PLANTS FOR USE IN ORGANIC CHEMICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2016-06-09 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-20160159934-A1 USES OF CERTAIN PLATINOID ACCUMULATING PLANTS FOR USE IN ORGANIC CHEMICAL REACTIONS OAT, PPA1, ITPA MAPT 1156/4885GAA 378/4885PIN1 38/4885

“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.