SCHEMBL2322938

SCHEMBL2322938

CCCCO/C=C/CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
PPARD Q03181 5/20 0.47
PPARA Q07869 5/20 0.47
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
MAPT P10636 3/20 0.47
BLM P54132 3/20 0.47
HSD17B10 Q99714 3/20 0.47
FABP4 P15090 3/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
TOP1 P11387 3/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 2/20 0.47
RECQL P46063 2/20 0.47
CYP19A1 P11511 2/20 0.47
PTGS1 P23219 2/20 0.47
NR4A2 P43354 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL2322942 1.00 PPARG (0.47) PPARGPPARDPPARATERTPTPN1
SCHEMBL11148247 0.86 TOP1 (0.61) PPARGPPARDPPARATERTPTPN1
SCHEMBL12197494 0.85 ALDH1A1 (0.41) PPARGPPARDPPARATERTPTPN1
SCHEMBL27458768 0.82 AKR1B1 (0.48) PPARGPPARDPPARATERTPTPN1
SCHEMBL12197479 0.80 TOP1 (0.41) PPARGPPARDPPARATERTPTPN1
SCHEMBL19602146 0.80 PPARG (0.59) PPARGPPARDPPARATERTPTPN1
SCHEMBL16863887 0.78 LPAR3 (0.38) F7F3FAAHALDH1A1
SCHEMBL27677868 0.78 LPAR3 (0.38) F7F3FAAHALDH1A1
SCHEMBL28146382 0.78 ADRB2 (0.36) ATMALDH1A1CYP3A4HPGD
SCHEMBL9199082 0.77 F7 (0.50) PPARGPPARDPPARATERTPTPN1

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
EP-2534140-B1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES BOSTON COLLEGE (US) 2018-04-11 EP disclosed
US-8598400-B2 Efficient methods for Z- or cis-selective cross-metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-12-03 US disclosed
US-8552242-B2 2013-10-08 US disclosed
EP-2534140-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS Trustees of Boston College (US) 2012-12-19 EP disclosed
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-10-06 US disclosed
WO-2011097642-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-08-11 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-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS PAICS, COASY, CYP51A1 PPARG 3643/4885PPARD 4019/4885PPARA 3232/4885

“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.