SCHEMBL2340668

SCHEMBL2340668

Cc1cccc(C(=O)O)c1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MYC P01106 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1B1 P15121 2/20 0.47
POLB P06746 2/20 0.46
SLC22A12 Q96S37 3/20 0.45
PTGS2 P35354 2/20 0.45
AKR1B10 O60218 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
DHFR P00374 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5060389 0.86 AKR1B1 (0.56) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1004574 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL1549077 0.82 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5963706 0.82 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2227278 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7025449 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL27409195 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5988902 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL104704 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL26679418 0.80 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 KDM4E 2120/4885ALDH1A1 2613/4885HPGD 1274/4885

“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.