SCHEMBL629697

SCHEMBL629697

C=Cc1cc(OC)ccc1C[C@H](C=O)CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
APLNR P35414 1/20 0.36
CA2 P00918 2/20 0.35
ROCK2 O75116 1/20 0.34
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2A P28223 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL629698 1.00 ERN1 (0.42) ERN1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL629404 0.89 HTR2A (0.35) ERN1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL629402 0.89 HTR2A (0.35) ERN1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL629403 0.89 HTR2A (0.35) ERN1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL16959550 0.80 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL630820 0.78 ABCB11 (0.36) ERN1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL630819 0.78 ABCB11 (0.36) ERN1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL7136926 0.76 TDP1 (0.41) KDM4EALDH1A1KMT2ACA2HTR2A
SCHEMBL16953704 0.74 ERN1 (0.39) ERN1KDM4EALDH1A1KMT2AAPLNR
SCHEMBL630627 0.72 ERN1 (0.43) ERN1KDM4EALDH1A1KMT2ATRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ERN1 3196/4885KDM4E 1977/4885RAB9A 3794/4885

“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.