SCHEMBL2007153

SCHEMBL2007153

CC1CCC(C(C)CC2CCCC2=O)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 10/20 0.38
PTGS2 P35354 10/20 0.38
KMT2A Q03164 2/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CA6 P23280 3/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL23817259 0.74 CA1 (0.32) KMT2ACA1CA2CA4
SCHEMBL17065221 0.74 CA1 (0.32) KMT2ACA1CA2CA4
SCHEMBL28088919 0.74 PTGS1 (0.40) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL2691668 0.73 PTGS1 (0.44) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL10962415 0.71 CA1 (0.31) CA1CA2CA4
SCHEMBL27214521 0.71 NPC1 (0.38) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL27231331 0.71 NPC1 (0.38) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL1427225 0.71 NPC1 (0.38) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL901072 0.71 NPC1 (0.38) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL27214519 0.71 NPC1 (0.38) PTGS1PTGS2KMT2AOPRK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778843-A1 MUSK-LIKE COMPOSITION Kao Corporation (JP) 2021-02-17 EP disclosed
US-20140163099-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-06-12 US disclosed
EP-2725900-A1 ANTIMICROBIAL COMPOSITION Takasago International Corporation (JP) 2014-05-07 EP disclosed
WO-2013002421-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 WO disclosed
US-20130005807-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 US disclosed
US-7964637-B2 Process for producing optically active theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-06-21 US disclosed
US-20090270516-A1 Process for Producing Optically Active Theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-29 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-20090270516-A1 Process for Producing Optically Active Theaspirane DHPS, ALDH7A1, FASN PTGS1 1421/4885PTGS2 1240/4885KMT2A 1705/4885

“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.