SCHEMBL4931741

SCHEMBL4931741

CCOC(=O)CCCCP(=O)(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
PPARD Q03181 1/20 0.48
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DGKA P23743 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL1406274 0.98 CYP1A2 (0.48) CYP1A2PPARDTSHRALDH1A1CYP3A4
SCHEMBL8551385 0.98 CYP1A2 (0.48) CYP1A2PPARDTSHRALDH1A1CYP3A4
SCHEMBL4232740 0.98 CYP1A2 (0.48) CYP1A2PPARDTSHRALDH1A1CYP3A4
SCHEMBL18590888 0.98 CYP1A2 (0.48) CYP1A2PPARDTSHRALDH1A1CYP3A4
SCHEMBL2235112 0.94 CYP1A2 (0.52) CYP1A2PPARDTSHRALDH1A1CYP3A4
SCHEMBL4648943 0.87 DGKA (0.48) CYP1A2PPARDTSHRDGKAENPP2
SCHEMBL710885 0.86 PPARD (0.54) CYP1A2PPARDTSHRALDH1A1ALOX15
SCHEMBL7717030 0.85 PPARD (0.52) CYP1A2PPARDTSHRALDH1A1CYP3A4
SCHEMBL28336971 0.84 TSHR (0.48) PPARDTSHRALDH1A1ENPP2KMT2A
SCHEMBL15951772 0.82 DGKA (0.47) CYP1A2PPARDTSHRDGKAENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-12 US disclosed
EP-0749428-B1 ISOXAZOLINE COMPOUNDS AS INHIBITORS OF TNF RELEASE PFIZER (US) 1998-07-29 EP disclosed
EP-0730588-B1 ISOXAZOLINE COMPOUNDS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1997-07-02 EP disclosed
US-4086208-A Flame resistant polyesters TOYO BOSEKI KABUSHIKI KAISHA (JA) 1978-04-25 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 (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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM CYP1A2 305/4885PPARD 132/4885TSHR 808/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A CYP1A2 183/4885PPARD 145/4885TSHR 1018/4885

“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.