SCHEMBL6513465

SCHEMBL6513465

CC(C(=O)O)c1cccc(OCCCBr)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.60
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
PTGS2 P35354 3/20 0.48
MAPT P10636 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
RECQL P46063 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 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
SCHEMBL4128458 0.93 PTGS1 (0.61) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL27678738 0.87 PTGS1 (0.61) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6288738 0.87 PTGS1 (0.65) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3673447 0.85 PTGS1 (0.63) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL8784715 0.84 PTGS1 (0.61) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3668050 0.84 PTGS1 (0.61) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL4785332 0.82 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1LMNAPTGES
SCHEMBL3674440 0.82 AKR1C3 (0.70) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL28133951 0.81 PTGS1 (0.65) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL4740646 0.79 PTGS1 (0.63) PTGS1KDM4ESMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR SMITHKLINE BEECHAM CORPORATION 2005-12-22 US disclosed
EP-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP disclosed
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr SMITHKLINE BEECHAM CORPORATION 2004-04-15 US disclosed
EP-1318976-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2003-06-18 EP disclosed
WO-2002024632-A2 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LIMITED (GB) 2002-03-28 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 (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-20050282908-A1 Substituted aminopropoxyaryl derivatives useful as agonists for LXR NR1H3, NR1H2, NR1H4 PTGS1 1262/4885KDM4E 1919/4885SMN1; SMN2 4850/4885
US-20040072868-A1 Substitued aminopropoxyaryl derivatives useful as agonists for lxr NR1H2, NR1H3, NR1H4 PTGS1 1503/4885KDM4E 2826/4885SMN1; SMN2 4676/4885

“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.