SCHEMBL5760929

SCHEMBL5760929

CC(C)CC(O)CCCCCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSMD14 O00487 2/20 0.36
PLA2G1B P04054 2/20 0.36
MMP2 P08253 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
HSP90AA1 P07900 1/20 0.36
RAD52 P43351 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36
PTPN1 P18031 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL2948491 1.00 USP2 (0.39) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
SCHEMBL27076632 0.98 SMN1; SMN2 (0.36) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
SCHEMBL5907087 0.90 USP2 (0.33) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
SCHEMBL9832664 0.90 USP2 (0.33) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
1,6-Hexanediol SCHEMBL8319566 0.87 TSHR (0.41) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL16074691 0.86 PSMD14 (0.40) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
SCHEMBL16074954 0.86 PSMD14 (0.40) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
SCHEMBL16074953 0.86 PSMD14 (0.40) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
SCHEMBL16077459 0.86 PSMD14 (0.40) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B
SCHEMBL16074901 0.86 PSMD14 (0.40) USP2CYP3A4SMN1; SMN2PSMD14PLA2G1B

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-7129366-B2 Group of a novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. (US) 2006-10-31 US claimed
US-20040204599-A1 Group of novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. 2004-10-14 US 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 USP2 3544/4885CYP3A4 2277/4885SMN1; SMN2 4760/4885

“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.