SCHEMBL2178506

SCHEMBL2178506

CCOC(=O)C(CCCc1cccc(OC)c1)C(=O)OCC

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
TDP1 Q9NUW8 3/20 0.70
TSHR P16473 2/20 0.70
ALDH1A1 P00352 1/20 0.70
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7642003 0.94 MAPK1 (0.62) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL4083647 0.87 MAPK1 (0.53) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL1856039 0.84 L3MBTL1 (0.50) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL2672357 0.83 ALDH1A1 (0.60) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL11206752 0.83 TDP1 (0.57) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7635607 0.83 MTNR1A (0.60) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL11210243 0.82 MAPK1 (0.54) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7641046 0.82 MAPK1 (0.48) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7640063 0.81 MTNR1A (0.52) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL6714506 0.81 TDP1 (0.65) MAPK1L3MBTL1TDP1TSHRALDH1A1

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-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed
US-6566385-B2 And the prenylation of the oncogene protein Ras; peptidomimetic macrocyclic compounds MERCK & CO., INC. 2003-05-20 US disclosed
US-20020099007-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
WO-2001051127-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 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-20020099007-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS MAPK1 1366/4885L3MBTL1 1868/4885TDP1 3302/4885

“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.