SCHEMBL5048759

SCHEMBL5048759

CCCCCCCC/C=C\CCCCCCC(CC)(CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.55
PTPN1 P18031 3/20 0.55
PPARG P37231 3/20 0.55
PPARD Q03181 3/20 0.55
PPARA Q07869 3/20 0.55
TOP1 P11387 3/20 0.55
MAPT P10636 2/20 0.55
BLM P54132 2/20 0.55
HSD17B10 Q99714 2/20 0.55
FABP4 P15090 2/20 0.55
DUSP3 P51452 2/20 0.55
PTPN7 P35236 2/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
APEX1 P27695 1/20 0.55

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
SCHEMBL6498274 1.00 TERT (0.55) TERTPTPN1PPARGPPARDPPARA
SCHEMBL1679205 0.96 TERT (0.55) TERTPTPN1PPARGPPARDPPARA
SCHEMBL1679203 0.96 TERT (0.55) TERTPTPN1PPARGPPARDPPARA
SCHEMBL5051330 0.95 ALDH1A1 (0.58) PPARGPPARDPPARAMAPTBLM
SCHEMBL630533 0.93 TERT (0.58) TERTPTPN1PPARGPPARDPPARA
SCHEMBL18154516 0.93 TERT (0.58) TERTPTPN1PPARGPPARDPPARA
SCHEMBL31243017 0.93 TERT (0.58) TERTPTPN1PPARGPPARDPPARA
SCHEMBL1626389 0.93 TERT (0.58) TERTPTPN1PPARGPPARDPPARA
SCHEMBL7522294 0.93 TERT (0.58) TERTPTPN1PPARGPPARDPPARA
SCHEMBL630532 0.93 TERT (0.58) TERTPTPN1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008127617-A1 METHOD AND APPARATUS FOR ANALYZING A SAMPLE SUCH AS A BIODIESEL FUEL SAMPLE ALLTECH ASSOCIATES INC. (US) 2008-10-23 WO disclosed
US-20050090399-A1 Phenyl substituted heterocyclic compounds useful as herbicides FRIEDMANN ADRIAN A (GB) 2005-04-28 US disclosed
EP-1468000-A1 PHENYL SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2004-10-20 EP disclosed
WO-2003062244-A1 PHENYL SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-07-31 WO 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-20050090399-A1 Phenyl substituted heterocyclic compounds useful as herbicides DDT, PAH, CYP1A1 TERT 3751/4885PTPN1 294/4885PPARG 75/4885

“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.