SCHEMBL7390751

SCHEMBL7390751

CCOc1cc(C=O)ccc1OCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.76
KDM4E B2RXH2 2/20 0.66
L3MBTL1 Q9Y468 4/20 0.61
GLA P06280 1/20 0.61
TACR2 P21452 1/20 0.57
POLB P06746 4/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACMSD Q8TDX5 1/20 0.53
GAA P10253 2/20 0.52
DVL1 O14640 1/20 0.50
FDPS P14324 1/20 0.50

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
SCHEMBL14787928 0.92 ALDH1A1 (0.63) ALDH1A1KDM4EL3MBTL1GLAPOLB
SCHEMBL493684 0.87 ALDH1A1 (0.73) ALDH1A1KDM4EL3MBTL1TACR2MAPT
SCHEMBL30159697 0.87 ALDH1A1 (0.73) ALDH1A1KDM4EL3MBTL1TACR2MAPT
SCHEMBL2560646 0.87 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1TACR2POLB
SCHEMBL13858849 0.87 ALDH1A1 (0.74) ALDH1A1KDM4EL3MBTL1TACR2POLB
SCHEMBL6536289 0.86 POLB (0.74) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL5246469 0.86 POLB (0.65) ALDH1A1KDM4EPOLBMAPTHTT
SCHEMBL29956334 0.86 POLB (0.65) ALDH1A1KDM4EPOLBMAPTHTT
SCHEMBL2561054 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1TACR2POLB
SCHEMBL3464223 0.85 ALDH1A1 (0.72) ALDH1A1KDM4EL3MBTL1TACR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3526199-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2022-04-13 EP disclosed
EP-3885437-A1 DNA-ENCODED CHEMICAL LIBRARY, USE THEREOF, AND METHOD TO SYNTHESIZE THE LIBRARY Technische Universität Dortmund (DE) 2021-09-29 EP disclosed
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
WO-2018069532-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-04-19 WO disclosed
US-9077038-B2 Lithium ion batteries GM Global Technology Operations LLC (US) 2015-07-07 US disclosed
US-20130071742-A1 LITHIUM ION BATTERIES GM Global Technology Operations LLC (US) 2013-03-21 US disclosed
US-5739163-A ANTICOAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-14 US disclosed
US-5523302-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-04 US 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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885KDM4E 1110/4885L3MBTL1 2418/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885KDM4E 1110/4885L3MBTL1 2418/4885

“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.