SCHEMBL4151559

SCHEMBL4151559

CC(C)(C)OC(=O)Cc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
GAA P10253 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TBXAS1 P24557 2/20 0.41
KDM4E B2RXH2 3/20 0.39
TAAR1 Q96RJ0 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.37
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL6013791 0.81 KDM4E (0.46) FDPSGAASMN1; SMN2HTTALDH1A1
SCHEMBL3776897 0.80 TBXAS1 (0.46) FDPSGAASMN1; SMN2HTTALDH1A1
Acetic Acid SCHEMBL29002166 0.80 GAA (0.46) FDPSGAASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL28900907 0.79 KDM4E (0.49) FDPSGAASMN1; SMN2HTTALDH1A1
SCHEMBL15874710 0.79 TBXAS1 (0.41) FDPSGAASMN1; SMN2HTTALDH1A1
SCHEMBL13377431 0.79 TAAR1 (0.38) FDPSGAASMN1; SMN2HTTALDH1A1
SCHEMBL19292211 0.79 TBXAS1 (0.62) FDPSGAASMN1; SMN2TBXAS1TAAR1
SCHEMBL2648605 0.78
SCHEMBL13382331 0.78 TAAR1 (0.42) FDPSTBXAS1TAAR1HTR1AL3MBTL1
SCHEMBL7866877 0.78 HSD17B10 (0.50) GAASMN1; SMN2ALDH1A1TBXAS1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137808-A1 PROCESS FOR MANUFACTURING BISPHOSPHONIC ACIDS ALBEMARLE CORPORATION (US) 2009-05-28 US disclosed
WO-2008157050-A1 PROCESSES FOR MANUFACTURING BISPHOSPHONIC ACIDS ALBEMARLE CORPORATION (US) 2008-12-24 WO disclosed
EP-1996599-A2 PROCESS FOR MANUFACTURING BISPHOSPHONIC ACIDS Albermarle Corporation (US) 2008-12-03 EP disclosed
WO-2007109542-A2 PROCESS FOR MANUFACTURING BISPHOSPHONIC ACIDS ALBEMARLE CORPORATION (US) 2007-09-27 WO disclosed
EP-0195414-B1 2-AZOLYLPROPIONATE DERIVATIVES AND FUNGICIDES CONTAINING THE SAME SDS Biotech K.K. (JP) 1991-02-27 EP disclosed
US-4767752-A Imidazolyl or triazolyl substituted propionate derivative and nonmedical fungicide containing the same S.D.S. BIOTECH K.K. (JP) 1988-08-30 US disclosed
EP-0195414-A2 2-Azolylpropionate derivatives and fungicides containing the same SDS Biotech K.K. (JP) 1986-09-24 EP 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-20090137808-A1 PROCESS FOR MANUFACTURING BISPHOSPHONIC ACIDS BPGM, PGM2, GYPA FDPS 417/4885GAA 14/4885SMN1; SMN2 3987/4885

“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.