SCHEMBL7236478

SCHEMBL7236478

CCC(C)OC(=O)C(CCCc1cccc(OC)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL2672361 0.85 TAAR1 (0.51) ALDH1A1
SCHEMBL11261335 0.85 LDHA (0.49) ALDH1A1
SCHEMBL11264972 0.85 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11270978 0.82 HDAC1 (0.44) HDAC1TSHRCHRM3
SCHEMBL11261128 0.81 MAPT (0.46) ALDH1A1
SCHEMBL7640217 0.81 MTNR1A (0.53) MTNR1AMTNR1BL3MBTL1ALDH1A1MAPK1
SCHEMBL11261409 0.80 MAPT (0.45)
SCHEMBL11261630 0.80 MAPT (0.45)
SCHEMBL11263275 0.80 MAPT (0.45)
SCHEMBL2178506 0.80 MAPK1 (0.70) MTNR1AMTNR1BL3MBTL1ALDH1A1MAPK1

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-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 MTNR1A 4234/4885MTNR1B 4277/4885L3MBTL1 1868/4885

“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.