SCHEMBL4725563

SCHEMBL4725563

COc1cccc(CC(C(C)=O)C(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.60
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MDM2 Q00987 1/20 0.53
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
CYP1A2 P05177 1/20 0.51
CTBP2 P56545 1/20 0.50
MMP13 P45452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CMA1 P23946 1/20 0.49

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
SCHEMBL15261978 0.91 TAAR1 (0.54) TAAR1ALDH1A1HTTSMN1; SMN2MTNR1A
SCHEMBL2425450 0.88 ALDH1A1 (0.56) TAAR1ALDH1A1MDM2MTNR1AMTNR1B
SCHEMBL19943588 0.85 TAAR1 (0.68) TAAR1ALDH1A1HTTSMN1; SMN2MTNR1A
SCHEMBL346630 0.84 SLC7A5 (0.46) ALDH1A1MDM2
SCHEMBL2672357 0.83 ALDH1A1 (0.60) TAAR1ALDH1A1MDM2MTNR1AMTNR1B
SCHEMBL6691644 0.82 LDHA (0.50) ALDH1A1MEN1KMT2A
SCHEMBL6691798 0.81 MAOB (0.62) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL16509313 0.81 TAAR1 (0.54) TAAR1ALDH1A1HTTSMN1; SMN2MTNR1A
SCHEMBL4596077 0.81 TAAR1 (0.66) TAAR1CYP1A2
SCHEMBL146611 0.81 TAAR1 (0.66) TAAR1CYP1A2

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-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 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-20080221129-A1 New compounds SCD, SCD5, FASN TAAR1 3181/4885ALDH1A1 858/4885HTT 3278/4885

“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.