SCHEMBL23318138

SCHEMBL23318138

CCC(C)c1ccccc1OC(=O)CC(C)C

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
HTT P42858 3/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 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
SCHEMBL1791401 0.87 TSHR (0.52) TSHRALOX15ALDH1A1L3MBTL1KDM4E
SCHEMBL1790848 0.85 TSHR (0.53) TSHRALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL16756208 0.82 ALOX15 (0.59) TSHRALOX15ALDH1A1L3MBTL1KDM4E
SCHEMBL5837459 0.82 TSHR (0.50) TSHRALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL6838437 0.82 TSHR (0.50) TSHRALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL10529200 0.81 TSHR (0.49) TSHRALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL15548138 0.80 ALOX15 (0.53) TSHRALOX15ALDH1A1KDM4ELMNA
SCHEMBL15548518 0.80 ALOX15 (0.53) ALOX15ALDH1A1L3MBTL1KDM4EHTT
SCHEMBL19407828 0.79 ELANE (0.53) TSHRALDH1A1L3MBTL1KDM4ELMNA
Fenobucarb SCHEMBL73674 0.79 ALDH1A1 (0.58) TSHRALDH1A1L3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130722-A1 MACROMOLECULAR CORROSION (MCIN) INHIBITORS: STRUCTURES, METHODS OF MAKING AND USING THE SAME POLNOX CORPORATION 2021-05-06 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 (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-20210130722-A1 MACROMOLECULAR CORROSION (MCIN) INHIBITORS: STRUCTURES, METHODS OF MAKING AND USING THE SAME MB, NCLN, CPN1 TSHR 4600/4885ALOX15 1763/4885ALDH1A1 1567/4885

“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.