SCHEMBL2297452

SCHEMBL2297452

CC(C)C(C(=O)O)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
SLC7A5 Q01650 2/20 0.41
TSHR P16473 1/20 0.37
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL15592505 1.00 TP53 (0.50) TP53SLC7A5TSHRFPR1FPR2
SCHEMBL9720978 0.87 TP53 (0.56) TP53SLC7A5TSHRRNPEPCYP1A2
SCHEMBL16438180 0.83 TP53 (0.50) TP53SLC7A5TSHRFPR1FPR2
SCHEMBL659817 0.83 TP53 (0.50) TP53SLC7A5TSHRFPR1FPR2
SCHEMBL66413 0.83 TP53 (0.50) TP53SLC7A5TSHRFPR1FPR2
SCHEMBL28263618 0.81 TP53 (0.50) TP53SLC7A5TSHRFPR1FPR2
Water SCHEMBL8870694 0.80 TP53 (0.47) TP53SLC7A5TSHRFPR1FPR2
SCHEMBL3760910 0.79 TSHR (0.50) TP53SLC7A5TSHRFPR1FPR2
SCHEMBL9722956 0.79 TSHR (0.50) TP53SLC7A5TSHR
SCHEMBL19585105 0.79 TSHR (0.50) TP53SLC7A5TSHRFPR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337146-B1 AEROSOL INSECT REPELLENT COMPOSITION HAVING LOW VOC CONTENT AND METHOD OF APPLYING SAME TO THE SKIN AVON PROD INC (US) 2006-02-08 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 US disclosed
US-9115083-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2015-08-25 US disclosed
US-8883773-B2 Cephem compound having pseudo-catechol group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2014-06-26 US disclosed
US-8703968-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2014-04-22 US disclosed
US-20130225649-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2013-08-29 US disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 US disclosed
US-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-03-28 US disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 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 (4 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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP CENPE, CCNE2, CEP170 TP53 2491/4885SLC7A5 65/4885TSHR 4026/4885
US-20130225649-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF HAVCR2, CYP51A1, NPC1 TP53 1729/4885SLC7A5 3463/4885TSHR 4880/4885
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 TP53 1824/4885SLC7A5 33/4885TSHR 4191/4885
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF HAVCR2, CYP51A1, NPC1 TP53 1729/4885SLC7A5 3463/4885TSHR 4880/4885

“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.