SCHEMBL24928215

SCHEMBL24928215

Cc1cc(C(C)(C)C)c(C)nc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CA2 P00918 3/20 0.34
POLB P06746 2/20 0.34
TYR P14679 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL22949451 0.84 CYP2C19 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL13336153 0.83 NOS3 (0.31) POLBATM
SCHEMBL14019766 0.80 NUDT1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14867639 0.80 CYP2C19 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL30624552 0.77 HPGD (0.35) ALDH1A1ALOX15KDM4ETSHR
SCHEMBL26601868 0.77 HPGD (0.35) ALDH1A1ALOX15KDM4ETSHR
SCHEMBL24968028 0.77
SCHEMBL20457063 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20457079 0.74 CYP2C9 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL23942638 0.74 SORT1 (0.33) ALDH1A1KDM4E

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-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2023-01-26 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-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, LPAR5, S1PR2 CYP1A2 3671/4885CYP2C9 4547/4885CYP2C19 4119/4885

“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.