SCHEMBL6902367

SCHEMBL6902367

CC(C)CC1=CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
DAO P14920 1/20 0.34
GSTP1 P09211 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MC4R P32245 1/20 0.31
SORT1 Q99523 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL11211634 0.88 GSTP1 (0.45) DAOGSTP1MAPT
SCHEMBL1238353 0.82 HCAR2 (0.32) GSTP1CYP1A2
SCHEMBL1078427 0.79 DAO (0.38) DAOGSTP1CYP1A2SORT1
SCHEMBL6901471 0.79 GSTP1 (0.33) GSTP1CYP1A2ALDH1A1
SCHEMBL4285502 0.78 ALDH1A1 (0.35) GSTP1CYP1A2ALDH1A1
SCHEMBL6898539 0.76 FNTA (0.39) DAOGSTP1
SCHEMBL6902175 0.76 GSTP1 (0.31) GSTP1
SCHEMBL11733124 0.75 ALDH1A1 (0.33) GSTP1ALDH1A1
SCHEMBL6895221 0.75 FNTA (0.35) DAOGSTP1
SCHEMBL1340149 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649107-B2 Process for the preparation of cyclopentanone derivatives FIRMENICH SA (CH) 2010-01-19 US disclosed
US-20080214859-A1 Process for the Preparation of Cyclopentanone Derivatives FIRMENICH SA (CH) 2008-09-04 US disclosed
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 (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-20080214859-A1 Process for the Preparation of Cyclopentanone Derivatives DHPS, CBR3, CBR1 PTPN1 4077/4885DAO 1261/4885GSTP1 1580/4885
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 PTPN1 4588/4885DAO 2558/4885GSTP1 2717/4885

“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.