SCHEMBL7777170

SCHEMBL7777170

CCOC(CC)(Cc1ccc(OCCBr)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PPARG P37231 9/20 0.45
PPARA Q07869 8/20 0.45
PPARD Q03181 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6387462 1.00 LMNA (0.47) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL6396442 0.88 PPARA (0.48) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL7755910 0.85 PPARG (0.61) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL16456500 0.82 PPARA (0.44) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL16456491 0.82 PPARG (0.44) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL5365650 0.81 PPARA (0.58) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL4451916 0.80 PPARA (0.46) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL3963055 0.79 BLM (0.50) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL5197222 0.79 BLM (0.50) LMNAALDH1A1PPARGPPARAPPARD
SCHEMBL5365631 0.77 PPARA (0.49) LMNAALDH1A1PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC. 2001-10-04 US disclosed
EP-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP disclosed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 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-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CYP11B1, CYP46A1, CYP51A1 LMNA 1390/4885ALDH1A1 1511/4885PPARG 102/4885

“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.