SCHEMBL4437952

SCHEMBL4437952

CC(O)C(CO)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.59
TAAR1 Q96RJ0 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.42
IDO1 P14902 1/20 0.42
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL3123290 0.85 TRPA1 (0.67) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL3123281 0.85 TRPA1 (0.67) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL16202807 0.85 TRPA1 (0.67) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL10338651 0.84 TRPA1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL17418354 0.84 TRPA1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL19066642 0.84 TAAR1 (0.50) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL19089213 0.84 TAAR1 (0.50) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1889290 0.83 TRPA1 (0.70) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL31118126 0.83 TRPA1 (0.60) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL15219955 0.83 TRPA1 (0.60) TRPA1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 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-20080255153-A1 New compounds SCD, SCD5, FADS2 TRPA1 1500/4885TAAR1 4796/4885SIGMAR1 3291/4885

“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.