SCHEMBL17975072

SCHEMBL17975072

Cc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCS(=O)(=O)O)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
BRCA1 P38398 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
SCHEMBL10576032 0.92 L3MBTL1 (0.53) L3MBTL1DRD2DRD4DRD3MEN1
SCHEMBL16706068 0.89 TSHR (0.50) CA12CA1CA2CA9LMNA
SCHEMBL16709262 0.88 ACACB (0.50) L3MBTL1CA12CA1CA2CA9
SCHEMBL13431939 0.87 L3MBTL1 (0.51) L3MBTL1DRD2DRD4DRD3MEN1
SCHEMBL29333732 0.85 POLB (0.52) L3MBTL1DRD2DRD4DRD3MEN1
SCHEMBL22193400 0.85 POLB (0.52) L3MBTL1DRD2DRD4DRD3MEN1
SCHEMBL26817730 0.84 RARB (0.48) L3MBTL1DRD2DRD4DRD3MEN1
SCHEMBL14557453 0.83 L3MBTL1 (0.55) L3MBTL1DRD2DRD4DRD3CA1
SCHEMBL4872642 0.83 ALDH1A1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL5583900 0.81 ALDH1A1 (0.53) L3MBTL1CA12CA1CA2CA9

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-20230263918-A1 ANTIVIRAL METHODS AND COMPOSITIONS NATIONAL SCIENCE FOUNDATION 2023-08-24 US disclosed
US-20180020663-A1 CONJUGATED POLYELECTROLYTES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2018-01-25 US disclosed
US-9750250-B2 Conjugated polyelectrolytes and methods of using the same STC.UNM (US) 2017-09-05 US disclosed
US-20160222150-A1 CONJUGATED POLYELECTROLYTES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2016-08-04 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 (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-20160222150-A1 CONJUGATED POLYELECTROLYTES AND METHODS OF USING THE SAME PARN, TERB1, CDYL L3MBTL1 1034/4885DRD2 2341/4885DRD4 1361/4885
US-20180020663-A1 CONJUGATED POLYELECTROLYTES AND METHODS OF USING THE SAME PARN, TERB1, CDYL L3MBTL1 1034/4885DRD2 2341/4885DRD4 1361/4885

“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.