SCHEMBL8400

SCHEMBL8400

COc1ccc(-c2ccc3c(c2)cc(C(=O)O)n3O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CCR2 P41597 3/20 0.50
DAO P14920 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
PTGES O14684 1/20 0.46
LMNA P02545 1/20 0.45
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RXRA P19793 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
MDM2 Q00987 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
SCHEMBL7269 0.89 LDHA (0.71) LDHASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13308 0.83 LDHA (1.00) LDHAALDH1A1CCR2DAOMAOA
SCHEMBL8058 0.81 LDHA (0.77) LDHACCR2DAO
SCHEMBL8074 0.81 LDHA (0.77) LDHASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8344 0.77 LDHA (0.71) LDHAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3584093 0.76 PTGES (0.59) LDHASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7864 0.75 LDHA (0.78) LDHACCR2DAOLMNARXRA
SCHEMBL8242 0.75 LDHA (0.68) LDHACCR2DAORXRA
SCHEMBL4369004 0.73 KDM4E (1.00) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5047379 0.72 KDM4E (0.74) SMN1; SMN2KDM4EALDH1A1LMNARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US claimed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP claimed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 WO claimed
US-9750761-B2 LDH inhibitors as treatment for fibrosis and fibrotic-related disorders UNIVERSITY OF ROCHESTER (US) 2017-09-05 US disclosed
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS UNIVERSITY OF ROCHESTER (US) 2015-11-26 US disclosed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD LDHA 1/4885SMN1; SMN2 4231/4885KDM4E 1327/4885
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS LDHA, LDHB, ALDH1A2 LDHA 1/4885SMN1; SMN2 2282/4885KDM4E 3331/4885

“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.