SCHEMBL1781745

SCHEMBL1781745

COC(CC(C)C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
KISS1R Q969F8 4/20 0.35
FOLH1 Q04609 2/20 0.33
TSHR P16473 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
POLB P06746 1/20 0.31
MME P08473 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
SCHEMBL14560234 1.00 LAP3 (0.36) LAP3ALDH1A1TDP1RNPEPSLC7A5
SCHEMBL1782678 0.89 KISS1R (0.32) LAP3ALDH1A1TDP1RNPEPSLC7A5
SCHEMBL11323974 0.83 KISS1R (0.31) KISS1R
SCHEMBL1784715 0.81
SCHEMBL8072286 0.80 LAP3 (0.48) LAP3ALDH1A1RNPEPSLC7A5CACNA2D1
SCHEMBL13461523 0.80 LAP3 (0.48) LAP3ALDH1A1RNPEPSLC7A5CACNA2D1
SCHEMBL1782972 0.79 MAPT (0.30)
SCHEMBL13554081 0.78 LAP3 (0.35) LAP3ALDH1A1TDP1RNPEPSLC7A5
SCHEMBL6904512 0.78 TSHR (0.46) LAP3ALDH1A1TDP1RNPEPSLC7A5
SCHEMBL1784171 0.78 CA1 (0.36) ALDH1A1TDP1KISS1RTSHRSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-8067136-B2 Charge control agent, toner, image forming method, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2011-11-29 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7589156-B2 Polyhydroxyalkanoic acid having ester, carboxyl or sulfonic acid group, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-09-15 US disclosed
US-20090202927-A1 Charge control agent, toner, image forming method, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2009-08-13 US disclosed
US-7510813-B2 Resin-coated carrier for electrophotographic developer CANON KABUSHIKI KAISHA (JP) 2009-03-31 US disclosed
US-7273734-B2 Process for producing a polyester CANON KABUSHIKI KAISHA (JP) 2007-09-25 US disclosed
US-20070117937-A1 Polyhydroxyalkanoic acid having ester, carboxyl or sulfonic acid group and producing method thereor CANON KABUSHIKI KAISHA (JP) 2007-05-24 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 LAP3 4807/4885ALDH1A1 520/4885TDP1 3995/4885
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINA3, SERPINC1 LAP3 321/4885ALDH1A1 508/4885TDP1 610/4885

“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.