SCHEMBL5080674

SCHEMBL5080674

Cc1sc(C)c(C(=O)O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36
FHIT P49789 1/20 0.35
GPR35 Q9HC97 1/20 0.35
ABCC1 P33527 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
NGFR P08138 1/20 0.33

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
SCHEMBL8304526 0.86 POLB (0.52) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL24264546 0.82 GPR35 (0.47) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL11166197 0.82 KDM4E (0.38) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL12768624 0.82 POLB (0.36) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL9375730 0.78 ALDH1A1 (0.42) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL26784147 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12111477 0.78 GRIN2C (0.37) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL18357869 0.76 GPR35 (0.47) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL20482165 0.75 POLB (0.33) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL5727379 0.75 GPR35 (0.42) DAOALDH1A1KDM4EMEN1MAPT

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
CN-117304459-B Bio-based sulfur-containing high-refraction polyester and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-04-19 CN claimed
CN-117304459-A Bio-based sulfur-containing high-refraction polyester and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-12-29 CN claimed
CN-119176892-A Ziegler-Navigator catalyst 中国科学院大连化学物理研究所 2024-12-24 CN disclosed
CN-117304459-B Bio-based sulfur-containing high-refraction polyester and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-04-19 CN disclosed
CN-117304459-A Bio-based sulfur-containing high-refraction polyester and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-12-29 CN disclosed
US-20230312599-A1 ALDOSE REDUCTASE INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-10-05 US disclosed
US-7371802-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2008-05-13 US disclosed
US-20070106039-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2007-05-10 US disclosed
EP-1678218-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2006-07-12 EP disclosed
WO-2005047351-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-05-26 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-20230312599-A1 ALDOSE REDUCTASE INHIBITORS AND METHODS OF USE THEREOF ALDOA, AKR1B1, AKR1C2 DAO 1785/4885ALDH1A1 23/4885KDM4E 2144/4885

“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.