SCHEMBL4460809

SCHEMBL4460809

CCCCOP(=O)(CCCO)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
PPARD Q03181 1/20 0.48
LPAR3 Q9UBY5 4/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 2/20 0.45
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 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
SCHEMBL4462568 0.89 PPARD (0.61) CYP3A4PPARDLPAR3LPAR1LPAR2
SCHEMBL11421377 0.87 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575182 0.87 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11514808 0.87 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11267341 0.86 CYP3A4 (0.50) CYP3A4PPARDLPAR3LPAR1LPAR2
SCHEMBL11515024 0.85 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11040982 0.85 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11564266 0.85 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10832782 0.84 CYP3A4 (0.64) CYP3A4PPARDLPAR3LPAR1LPAR2
SCHEMBL4451725 0.83 PPARD (0.48) CYP3A4PPARDLPAR3LPAR1LPAR2

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-8354454-B2 Prodrugs of oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME LLC 2011-09-08 US disclosed
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
US-4250124-A FIREPROOFING TEXTILES; REACTION OF AN HYDROXY-CONTAINING COMPOUND AND A 2-SUBSTITUTED-2-OXO-OXA-PHOSPHOLANE HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
US-4244893-A FIREPROOFING; FINISHES FOR TEXTILES HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed
US-4220610-A Organic phosphorus compounds with 2-hydroxyalkyl-phosphonic acid groups HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-02 US disclosed
US-4163034-A DECYCLIZATION, ESTERIFICATION; FIREPROOFING HOECHST AG. (DE) 1979-07-31 US disclosed
US-4096208-A FIREPROOFING AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-20 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-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS CETP, SLCO2B1, OXA1L CYP3A4 37/4885PPARD 432/4885LPAR3 4477/4885

“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.