SCHEMBL5385607

SCHEMBL5385607

C=CCOCC(CC)(COCC=C)COCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
THRB P10828 2/20 0.42
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
CES2 O00748 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL12132658 0.87 CES1 (0.44) CES1THRBTSHRMEN1KMT2A
SCHEMBL14706846 0.85 THRB (0.47) THRBMEN1KMT2APOLB
SCHEMBL11152951 0.85 CES1 (0.53) CES1THRBTSHRMEN1KMT2A
SCHEMBL15412040 0.85 CES1 (0.53) CES1THRBTSHRMEN1KMT2A
SCHEMBL15412436 0.85 CES1 (0.53) CES1THRBTSHRMEN1KMT2A
SCHEMBL4879022 0.85 CES1 (0.53) CES1THRBTSHRMEN1KMT2A
SCHEMBL13165932 0.85 CES1 (0.53) CES1THRBTSHRMEN1KMT2A
SCHEMBL160932 0.83 THRB (0.46) THRBMEN1KMT2APOLBALDH1A1
SCHEMBL30492030 0.82 CYP3A4 (0.42) THRBTSHRLPAR1LPAR3LPAR2
SCHEMBL2340995 0.81 MEN1 (0.48) CES1THRBTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265236-B2 Polypodal silanes with embedded hydrophilicity GELEST, INC. (US) 2007-09-04 US disclosed
US-20050187400-A1 Polypodal silanes with embedded hydrophilicity GELEST, INC. 2005-08-25 US 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-20050187400-A1 Polypodal silanes with embedded hydrophilicity SDC2, PCNA, PDS5B CES1 3709/4885THRB 4575/4885TSHR 4796/4885

“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.