SCHEMBL1097490

SCHEMBL1097490

COc1ccc(CN[C@@H](Cc2ccc(OC)cc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.63
FPR2 P25090 1/20 0.56
KMT2A Q03164 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
PPARG P37231 2/20 0.53
CA2 P00918 1/20 0.53
FFAR1 O14842 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
PPARA Q07869 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL29228692 0.96 FPR2 (0.62) LDHAFPR2KMT2AHDAC8PPARG
SCHEMBL30872672 0.96 FPR2 (0.62) LDHAFPR2KMT2AHDAC8PPARG
SCHEMBL6921340 0.88 GAA (0.58) LDHAKMT2ACA2ALDH1A1NPC1
SCHEMBL1177224 0.88 PDCD1 (0.56) LDHAKMT2AHDAC8PPARGFFAR1
SCHEMBL16116802 0.88 LDHA (0.63) LDHAFPR2KMT2APPARGCA2
SCHEMBL1177223 0.88 PDCD1 (0.56) LDHAKMT2AHDAC8PPARGFFAR1
SCHEMBL839542 0.88 LDHA (0.63) LDHAFPR2KMT2APPARGCA2
SCHEMBL1177136 0.88 PDCD1 (0.56) LDHAKMT2AHDAC8PPARGFFAR1
SCHEMBL28382375 0.86 LDHA (0.61) LDHAFPR2KMT2APPARGCA2
SCHEMBL1760907 0.86 LDHA (0.53) LDHAKMT2AHDAC8PPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153365-B2 Oligonucleotide analogues EXIQON A/S (DK) 2012-04-10 US disclosed
US-8034909-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-10-11 US disclosed
US-20110245327-A1 Oligonucleotide Analogues EXIQON A/S (DK) 2011-10-06 US disclosed
EP-2341058-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
EP-2341057-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 US disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 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-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN LDHA 1031/4885FPR2 3091/4885KMT2A 3747/4885
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH LDHA 959/4885FPR2 347/4885KMT2A 1273/4885

“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.