SCHEMBL6901642

SCHEMBL6901642

CCCCC(C)C(O)C1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.35
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
MMP1 P03956 1/20 0.31
MMP7 P09237 1/20 0.31
MMP12 P39900 1/20 0.31
ECE1 P42892 1/20 0.31
MMP13 P45452 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CCR2 P41597 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
SCHEMBL6900478 0.95 CYP2D6 (0.36) CYP2D6MAPTCCR2
SCHEMBL6901470 0.94 CCR2 (0.36) CYP2D6CCR2
SCHEMBL6902894 0.90 CYP2D6 (0.38) CYP2D6MAPTPTGS1PTGS2OPRK1
SCHEMBL25635615 0.83 CYP2D6 (0.43) CYP2D6MAPTPTGS1PTGS2OPRK1
SCHEMBL1238440 0.83 CYP2D6 (0.43) CYP2D6MAPTPTGS1PTGS2OPRK1
SCHEMBL913008 0.82 CYP2D6 (0.39) CYP2D6MAPT
SCHEMBL1767335 0.80 CYP2D6 (0.37) CYP2D6MAPTPTGS1PTGS2MMP1
SCHEMBL8032810 0.80 CYP2D6 (0.37) CYP2D6MAPTPTGS1PTGS2MMP1
SCHEMBL1238385 0.79 CYP2D6 (0.49) CYP2D6MAPTPTGS1PTGS2OPRK1
SCHEMBL1238426 0.78 CYP2D6 (0.38) CYP2D6

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-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 EP disclosed
CN-1421429-A Process for producing 2-alkyl-2-cyclopentenone TAKASAGO PERFUMERY CO LTD (JP) 2003-06-04 CN 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-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 CYP2D6 129/4885MAPT 4641/4885PTGS1 1145/4885

“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.