SCHEMBL6086010

SCHEMBL6086010

C=CC(=O)OCCSCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
TP53 P04637 3/20 0.44
CES2 O00748 3/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 2/20 0.44
GMNN O75496 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 2/20 0.44
HCAR2 Q8TDS4 2/20 0.44
ATM Q13315 1/20 0.43
FAAH O00519 4/20 0.40
CES1 P23141 4/20 0.40
PLA2G6 O60733 1/20 0.40
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL6408701 1.00 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22710146 1.00 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL17416309 0.93 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10033081 0.93 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10426942 0.89 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9860378 0.89 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL31493314 0.87 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL15994380 0.87 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL15994950 0.87 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30998835 0.87 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074937-B2 Method for production of additives for lubricating oils ROHM AND HAAS COMPANY (US) 2006-07-11 US disclosed
EP-1361217-B1 4-Thionoimidazolidine derivatives as oil-soluble additives for lubricating oils ROHM & HAAS (US) 2005-03-23 EP disclosed
US-6734149-B2 THIOHYDANTOIN DERIVATIVE, DITHIOPHOSPHATE ROHM AND HAAS COMPANY 2004-05-11 US disclosed
US-20040082797-A1 Method for production of additives for lubricating oils ROHM AND HAAS COMPANY 2004-04-29 US disclosed
EP-1413577-A1 Process for production of additives for lubricating oils Rohm and Haas (US) 2004-04-28 EP disclosed
EP-1361217-A1 4-Thionoimidazolidine derivatives as oil-soluble additives for lubricating oils ROHM AND HAAS COMPANY (US) 2003-11-12 EP disclosed
EP-1229023-B1 Thioimidazolidine derivatives as oil-soluble additives for lubricating oils ROHM & HAAS (US) 2003-09-17 EP disclosed
US-6602831-B2 Ashless, phosphorus-free; compounds contain a thio- or thiono-substituted imidazole or imidazoline ring ROHM AND HAAS COMPANY 2003-08-05 US disclosed
US-20020198115-A1 Combination of additives for lubricating oils ROHM AND HAAS COMPANY 2002-12-26 US disclosed
US-20020142921-A1 Oil-soluble additives for lubricating oils ROHM AND HAAS COMPANY 2002-10-03 US disclosed
EP-1229023-A1 Thioimidazolidine derivatives as oil-soluble additives for lubricating oils ROHM AND HAAS COMPANY (US) 2002-08-07 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 (2 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-20040082797-A1 Method for production of additives for lubricating oils OR10J3, KAT7, NAA10 TSHR 729/4885HPGD 3545/4885ALDH1A1 2276/4885
US-20020198115-A1 Combination of additives for lubricating oils DAGLA, SAAL1, DAGLB TSHR 4725/4885HPGD 3262/4885ALDH1A1 301/4885

“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.