SCHEMBL5744792

SCHEMBL5744792

CC(C)CCCCC/C=C/C=C/C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
PPARA Q07869 1/20 0.46
PTPN1 P18031 1/20 0.45
PPARG P37231 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL16949678 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL5744794 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL26624583 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL16949679 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL30239801 0.98 ALDH1A1 (0.55) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL8399633 0.98 ALDH1A1 (0.55) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL3712279 0.98 ALDH1A1 (0.55) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL23924379 0.87 PTPN1 (0.45) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL5654019 0.87 PTPN1 (0.45) ALDH1A1MAPTCNR1CNR2PPARA
SCHEMBL22555602 0.87 PTPN1 (0.45) ALDH1A1MAPTCNR1CNR2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129366-B2 Group of a novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. (US) 2006-10-31 US claimed
EP-1463707-A4 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2006-02-01 EP claimed
US-20040204599-A1 Group of novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. 2004-10-14 US claimed
EP-1463707-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE Yang, Zhenhua (US) 2004-10-06 EP claimed
WO-2003014296-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2003-02-20 WO claimed
US-7129366-B2 Group of a novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. (US) 2006-10-31 US disclosed
EP-1463707-A4 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2006-02-01 EP disclosed
US-20040204599-A1 Group of novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. 2004-10-14 US disclosed
EP-1463707-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE Yang, Zhenhua (US) 2004-10-06 EP disclosed
WO-2003014296-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2003-02-20 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-20040204599-A1 Group of novel anti-cancer compounds with specific structure FASN, NFKBIA, NFATC1 ALDH1A1 3568/4885MAPT 4177/4885CNR1 376/4885

“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.