SCHEMBL2912931

SCHEMBL2912931

CCOC(=O)C(C)(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.51
MMP8 P22894 1/20 0.49
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
RECQL P46063 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KCNN4 O15554 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD11B1 P28845 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL14747879 1.00 PIN1 (0.51) PIN1MMP8POLBALDH1A1CHRM2
SCHEMBL2910521 0.93 PIN1 (0.54) PIN1MMP8POLBALDH1A1CHRM2
SCHEMBL15973619 0.88 PIN1 (0.50) PIN1MMP8POLBALDH1A1CHRM2
Malonic Acid SCHEMBL18670143 0.86 MMP8 (0.50) PIN1MMP8POLBALDH1A1CHRM2
SCHEMBL1581080 0.86 PIN1 (0.49) PIN1MMP8POLBALDH1A1CHRM2
SCHEMBL14791242 0.86 MAPT (0.50) PIN1MMP8POLBALDH1A1CHRM2
SCHEMBL27518382 0.84 KMT2A (0.43) POLBALDH1A1CHRM2CHRM1CHRM3
SCHEMBL7427036 0.83 TSHR (0.50) POLBALDH1A1CHRM2CHRM1CHRM3
SCHEMBL15944490 0.83 MMP8 (0.51) PIN1MMP8POLBALDH1A1CHRM2
SCHEMBL3949682 0.83 MAPK1 (0.46) PIN1ALDH1A1NPSR1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354923-B Nitrogen-containing heterocyclic compound and application thereof 江苏恩华药业股份有限公司 2025-05-09 CN disclosed
CN-116354923-A Nitrogen-containing heterocyclic compound and application thereof 江苏恩华药业股份有限公司 2023-06-30 CN disclosed
EP-2225382-B1 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2016-11-09 EP disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
US-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
EP-2565274-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
EP-2565273-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-12-09 US disclosed
EP-2225382-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-09-08 EP disclosed
WO-2009068308-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2009-06-04 WO disclosed
EP-2065470-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2009-06-03 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 (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-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS ME1, AMD1, GMDS PIN1 2308/4885MMP8 3450/4885POLB 1068/4885

“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.