SCHEMBL92793

SCHEMBL92793

CCCCOC(=O)[C@@H](C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
CYP3A4 P08684 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSH P09668 1/20 0.45
CHRM1 P11229 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL19248423 1.00 TSHR (0.54) TSHRCYP3A4ALDH1A1MAPK1TDP1
SCHEMBL20929244 1.00 TSHR (0.54) TSHRCYP3A4ALDH1A1MAPK1TDP1
SCHEMBL27549297 0.94 TSHR (0.54) TSHRCYP3A4ALDH1A1MAPK1TDP1
SCHEMBL20269906 0.90 LMNA (0.51) TSHRCYP3A4ALDH1A1MAPK1HPGD
SCHEMBL27794811 0.86 ESR1 (0.55) TSHRCYP3A4ALDH1A1MAPK1TDP1
SCHEMBL16732085 0.85 TSHR (0.55) TSHRCYP3A4ALDH1A1MAPK1TDP1
SCHEMBL28557095 0.84 TSHR (0.51) TSHRCYP3A4ALDH1A1MAPK1TDP1
SCHEMBL2426331 0.84 TSHR (0.54) TSHRCYP3A4ALDH1A1MAPK1TDP1
SCHEMBL31257795 0.83 CYP3A4 (0.55) TSHRCYP3A4ALDH1A1MAPK1HPGD
SCHEMBL1892061 0.83 MMP8 (0.59) TSHRCYP3A4ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324174-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-12-04 US disclosed
US-8207297-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-26 US disclosed
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8129346-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-03-06 US disclosed
US-20080200398-A1 Compounds For Enzyme Inhibition PROTEOLIX, INC. (US) 2008-08-21 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 (4 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-20080200398-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 TSHR 2729/4885CYP3A4 2068/4885ALDH1A1 2975/4885
US-20120094930-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 TSHR 2729/4885CYP3A4 2068/4885ALDH1A1 2975/4885
US-20120101048-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 TSHR 2729/4885CYP3A4 2068/4885ALDH1A1 2975/4885
US-20120101050-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 TSHR 2729/4885CYP3A4 2068/4885ALDH1A1 2975/4885

“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.