SCHEMBL4586773

SCHEMBL4586773

CCCCCCCCCC(C)=CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALOX15 P16050 3/20 0.48
CYP3A4 P08684 2/20 0.48
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
UGT1A1 P22309 1/20 0.46
LSS P48449 1/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PPARG P37231 5/20 0.41
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
HDAC11 Q96DB2 4/20 0.41
GPR84 Q9NQS5 3/20 0.41
TLR2 O60603 2/20 0.41

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
SCHEMBL8998641 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL2817240 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL5560370 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL8998659 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL8998633 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL8998739 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL8998668 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL5439961 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL22556624 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1
SCHEMBL8998731 1.00 MEN1 (0.48) MEN1KMT2AALOX15CYP3A4PTPN1

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
EP-1613585-A4 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2008-07-23 EP disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 US disclosed
EP-1613585-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2006-01-11 EP disclosed
US-6835846-B2 The present invention provides an aliphatic compound represented by the following formula (I) or pharmacologically acceptable salts thereof: the aliphatic compound being an optical isomer of the (2R,3S,2'S) configuration when the MARUHA CORPORATION (JP) 2004-12-28 US disclosed
WO-2004087064-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2004-10-14 WO disclosed
US-20040014816-A1 Novel aliphatic compounds, process for their preparation and their usage MARUHA NICHIRO SEAFOODS, INC. (JP) 2004-01-22 US disclosed
EP-1325904-A1 NOVEL ALIPHATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USAGE Maruha Corporation (JP) 2003-07-09 EP 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-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase BHMT, BHMT2, GNMT MEN1 924/4885KMT2A 601/4885ALOX15 527/4885
US-20040014816-A1 Novel aliphatic compounds, process for their preparation and their usage CPT1B, ACSS2, CERS2 MEN1 1555/4885KMT2A 4077/4885ALOX15 49/4885

“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.