SCHEMBL2531890

SCHEMBL2531890

CCOC(=O)Cn1cncc1CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.52
▸ CYP11B2 P19099 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PPID Q08752 1/20 0.40

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
SCHEMBL2534765 0.83 CYP11B1 (0.57) CYP11B1CYP11B2SMN1; SMN2TBXAS1
SCHEMBL9123088 0.82 CYP11B1 (0.67) CYP11B1CYP11B2TBXAS1ALOX5FNTA
SCHEMBL9642301 0.79 CYP11B1 (0.77) CYP11B1CYP11B2TBXAS1ALOX5FNTA
SCHEMBL1027052 0.79 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1RAB9ATBXAS1POLB
SCHEMBL6776094 0.76 CYP11B1 (0.62) CYP11B1CYP11B2ALDH1A1FNTAFNTB
SCHEMBL27831350 0.76 ALDH1A1 (0.70) CYP11B1CYP11B2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2534848 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1RAB9AALOX5POLB
SCHEMBL17410493 0.73 RAB9A (0.52) CYP11B1CYP11B2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4434247 0.71 CYP11B2 (0.55) CYP11B1CYP11B2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL260297 0.71 ALOX5 (0.76) SMN1; SMN2RAB9AALOX5POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382223-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS Novartis AG (CH) 2011-11-02 — — EP disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
WO-2010076258-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2010-07-08 — — 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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 CYP11B1 2146/4885CYP11B2 2431/4885SMN1; SMN2 2330/4885

“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.

Send feedback