SCHEMBL1238041

SCHEMBL1238041

CCC(C)CC1=CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.42
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.33
MAPT P10636 2/20 0.31
GRIA1 P42261 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK5 Q16478 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 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
SCHEMBL1238353 0.89 HCAR2 (0.32) GSTP1HCAR2
SCHEMBL11211634 0.83 GSTP1 (0.45) GSTP1TP53HIF1AMAPTGRIA1
SCHEMBL743966 0.77
SCHEMBL6901471 0.75 GSTP1 (0.33) GSTP1
SCHEMBL1237584 0.73 GSTP1 (0.46) GSTP1TP53HIF1AMAPT
SCHEMBL21633992 0.73 GSTP1 (0.46) GSTP1TP53HIF1AMAPTCYP3A4
SCHEMBL6902175 0.72 GSTP1 (0.31) GSTP1
SCHEMBL13715115 0.71 GSTP1 (0.50) GSTP1TP53MAPTALOX15
SCHEMBL6902367 0.71 PTPN1 (0.34) GSTP1MAPT
SCHEMBL1238429 0.70 GSTP1 (0.44) GSTP1TP53HIF1AMAPT

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
US-20240409486-A1 COMPOUND PRODUCING METHOD INCLUDING STEP OF ISOMERIZING ALPHA, BETA-UNSATURATED KETONE KAO CORPORATION (JP) 2024-12-12 US disclosed
CN-118103345-A Method for producing compound comprising isomerization step of alpha, beta-unsaturated ketone 花王株式会社 2024-05-28 CN disclosed
WO-2023063030-A1 COMPOUND PRODUCING METHOD INCLUDING STEP FOR ISOMERIZING α,β-UNSATURATED KETONE 花王株式会社 2023-04-20 WO disclosed
EP-2266943-B1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE KAO CORP (JP) 2016-11-16 EP disclosed
US-8394994-B2 Method for producing of 2-alkyl-2-cycloalken-1-one KAO CORPORATION (JP) 2013-03-12 US disclosed
US-20110034722-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE KAO CORPORATION (JP) 2011-02-10 US disclosed
EP-2266943-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE Kao Corporation (JP) 2010-12-29 EP 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-20240409486-A1 COMPOUND PRODUCING METHOD INCLUDING STEP OF ISOMERIZING ALPHA, BETA-UNSATURATED KETONE CBR1, AKR1B1, AKR1C1 GSTP1 864/4885TP53 3436/4885HIF1A 255/4885
US-20110034722-A1 METHOD FOR PRODUCING OF 2-ALKYL-2-CYCLOALKEN-1-ONE PAOX, CYP1A1, ADH1A GSTP1 3165/4885TP53 677/4885HIF1A 1591/4885

“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.