SCHEMBL19006262

SCHEMBL19006262

CCOC(=O)C(C)(C)Cc1cccc(CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
PIN1 Q13526 1/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 2/20 0.40
BCL2 P10415 1/20 0.39

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
SCHEMBL21294047 0.91 MMP8 (0.48) MMP8PPARAPPARGTSHRMAPK1
SCHEMBL19006263 0.88 MMP8 (0.48) MMP8PPARAPPARGL3MBTL1ALDH1A1
SCHEMBL17145250 0.85 IDO1 (0.47) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL10237568 0.85 RIPK1 (0.50) MMP8PPARAPPARGL3MBTL1ALDH1A1
SCHEMBL18982870 0.85 MMP8 (0.46) MMP8PPARAPPARGTSHRL3MBTL1
SCHEMBL6260653 0.85 PPARA (0.54) MMP8PPARAPPARGTSHRMAPK1
SCHEMBL186711 0.85 CYP4F2 (0.46) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL12802501 0.84 PPARA (0.53) PPARAPPARGALDH1A1CYP1A2KDM4E
SCHEMBL1492859 0.83 MMP8 (0.65) MMP8TSHRL3MBTL1ALDH1A1RECQL
SCHEMBL18999230 0.82 MMP8 (0.44) MMP8PPARAPPARGTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 US 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A MMP8 3110/4885PPARA 2668/4885PPARG 704/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A MMP8 3110/4885PPARA 2668/4885PPARG 704/4885

“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.