SCHEMBL4843311

SCHEMBL4843311

Cc1cccc(C)c1C(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.59
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 2/20 0.44
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43

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
SCHEMBL302337 0.90 ALDH1A1 (0.67) ALDH1A1TSHRCA12CA1CA2
SCHEMBL27373437 0.89 ALDH1A1 (0.51) ALDH1A1TSHRCA12CA1CA2
SCHEMBL18127930 0.88 ALDH1A1 (0.46) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4841311 0.87 ALDH1A1 (0.50) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4627359 0.86 ALDH1A1 (0.61) ALDH1A1TSHRCA12CA1CA2
SCHEMBL31080971 0.85 ALDH1A1 (0.51) ALDH1A1TSHRCA12CA1CA2
SCHEMBL28026149 0.83 ALDH1A1 (0.46) ALDH1A1TSHRCA12CA1CA2
SCHEMBL14767681 0.83 CA12 (0.63) ALDH1A1TSHRCA12CA1CA2
SCHEMBL27553264 0.82 ALDH1A1 (0.61) ALDH1A1TSHRCA12CA1CA2
SCHEMBL7059492 0.81 ALDH1A1 (0.76) ALDH1A1TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
WO-2024018471-A1 CATHEPSIN INHIBITORS AND USE THEREOF IN A METHOD FOR DETECTING AND TREATING RESISTANCE TO IMMUNOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-01-25 WO disclosed
US-20210323996-A1 COMPOSITIONS AND METHODS FOR PROFILING OF GUT MICROBIOTA-ASSOCIATED BILE SALT HYDROLASE (BSH) ACTIVITY CORNELL UNIVERSITY 2021-10-21 US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
EP-1177187-B1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 EP disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO 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-20210323996-A1 COMPOSITIONS AND METHODS FOR PROFILING OF GUT MICROBIOTA-ASSOCIATED BILE SALT HYDROLASE (BSH) ACTIVITY APEH, NR1H4, HDHD5 ALDH1A1 588/4885TSHR 455/4885CA12 666/4885

“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.