SCHEMBL4834074

SCHEMBL4834074

CC(C)C(=O)C(O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ADRA2A P08913 4/20 0.44
ADRA2B P18089 4/20 0.44
ADRA2C P18825 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1B P35368 3/20 0.44
ALOX5 P09917 1/20 0.43
SSTR4 P31391 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4836821 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL17782926 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL1826565 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL4954667 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL14376212 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL4955989 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL888804 0.78 ALOX5 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL28564523 0.78 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL14258602 0.77 KMT2A (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A
SCHEMBL3048393 0.77 KMT2A (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA

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
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 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 (2 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B ALDH1A1 2700/4885CYP2C9 532/4885CYP2C19 443/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C ALDH1A1 974/4885CYP2C9 326/4885CYP2C19 321/4885

“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.