SCHEMBL10123555

SCHEMBL10123555

CC(C)n1ccn(CC(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 2/20 0.36
▸ APEX1 P27695 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ FPR2 P25090 3/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33

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
SCHEMBL5011462 0.76 KMT2A (0.42) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL3590708 0.75 ALDH1A1 (0.43) ALDH1A1LMNAMAPTADORA2BKDM4E
SCHEMBL3581778 0.75 ALDH1A1 (0.43) ALDH1A1LMNAMAPTADORA2BKDM4E
SCHEMBL4464253 0.72 ADORA2B (0.39) MAPTADORA2B
SCHEMBL3582727 0.68 GSK3A (0.50) ALDH1A1MAPTKDM4EPOLBKMT2A
SCHEMBL11711947 0.67 KDM4E (0.47) ALDH1A1LMNAMAPTADORA2BKDM4E
SCHEMBL19873909 0.66 ALDH1A1 (0.39) ALDH1A1LMNAMAPTADORA2BKDM4E
SCHEMBL2627812 0.66 SMN1; SMN2 (0.69) SMN1; SMN2FPR2
SCHEMBL21900250 0.65 ALDH1A1 (0.38) ALDH1A1LMNAMAPTADORA2BKDM4E
SCHEMBL21900233 0.65 ALDH1A1 (0.40) ALDH1A1LMNAMAPTADORA2BKDM4E

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-8383643-B2 Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK CANADA INC. (CA) 2013-02-26 — — US disclosed
US-20120122912-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2012-05-17 — — 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-20120122912-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 ALDH1A1 300/4885LMNA 946/4885MAPT 3475/4885

“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.

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