SCHEMBL5744776

SCHEMBL5744776

CC(C)CC(=O)CCCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 5/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL12970907 1.00 KMT2A (0.56) KMT2AMAPTTSHRLMNANFKB1
SCHEMBL11519181 1.00 KMT2A (0.56) KMT2AMAPTTSHRLMNANFKB1
SCHEMBL29114066 0.98 LMNA (0.52) KMT2AMAPTTSHRLMNANFKB1
SCHEMBL526017 0.83 EGLN1 (0.48) LMNAALDH1A1TDP1OR51E2
SCHEMBL13879345 0.83 ALDH1A1 (0.48) TSHRALDH1A1TDP1SLC22A6
SCHEMBL11211450 0.83 KMT2A (0.52) KMT2AMAPTTSHRLMNANFKB1
SCHEMBL11329317 0.83 KMT2A (0.52) KMT2AMAPTTSHRLMNANFKB1
SCHEMBL16431422 0.82 KMT2A (0.56) KMT2AMAPTTSHRLMNAGPR84
SCHEMBL2533531 0.82 ALDH1A1 (0.39) KMT2AMAPTLMNAALDH1A1TDP1
SCHEMBL2527251 0.82 ALDH1A1 (0.39) KMT2AMAPTLMNAALDH1A1TDP1

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 9 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
CN-1343650-A Anticancer compound with particular structure YANG ZHENHUA (CN) 2002-04-10 CN 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
CN-1343650-A Anticancer compound with particular structure YANG ZHENHUA (CN) 2002-04-10 CN 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 KMT2A 2693/4885MAPT 4177/4885TSHR 4370/4885

“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.