SCHEMBL3986013

SCHEMBL3986013

CCCCCCCCCCCCCCCCC(=O)CC=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
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
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
TSHR P16473 4/20 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
FAAH O00519 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
SCHEMBL3992015 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
Houttuynin SCHEMBL1144900 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL3987687 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
3-Oxotetradecanal SCHEMBL1301744 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL3992626 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL3993688 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL3990464 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
3-Oxodecanal SCHEMBL3646476 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL3877076 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL3987323 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7537906-B2 Apoptosis inducer and method of screening for a substance inhibiting acylated homoserine lactone Nomura, Nobuhiko (JP) 2009-05-26 US disclosed
US-20040229944-A1 Apoptosis inducer and method of screening for a substance inhibiting acylated homoserine lactone NIPPON SHOKUBAI CO., LTD. (JP) 2004-11-18 US disclosed
EP-1442742-A1 Apoptosis inducer and method of screening for a substance inhibiting acylated homoserine lactone Nomura, Nobuhiko (JP) 2004-08-04 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 (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-20040229944-A1 Apoptosis inducer and method of screening for a substance inhibiting acylated homoserine lactone API5, BAX, AKT1S1 KMT2A 4455/4885MAPT 4806/4885CES2 2285/4885

“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.