SCHEMBL90928

SCHEMBL90928

Cc1ccc2c(c1)OOC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
METAP1 P53582 2/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
MAOB P27338 6/20 0.31
HTR5A P47898 1/20 0.31
TERT O14746 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL11201231 0.83 MMP12 (0.38) MMP12CYP1A2CYP2A6METAP1ALDH1A1
SCHEMBL14319844 0.80 METAP1 (0.36) MMP12METAP1ALDH1A1GAAMAPT
SCHEMBL8577915 0.79 ALDH1A1 (0.34) CYP1A2CYP2A6METAP1ACHEALDH1A1
SCHEMBL8533498 0.77
Chloromethane SCHEMBL6475054 0.75 AHR (0.40) MAPT
SCHEMBL90933 0.75 MMP12 (0.36) MMP12CYP1A2CYP2A6ALDH1A1GAA
SCHEMBL15128666 0.75 METAP1 (0.39) MMP12CYP1A2CYP2A6METAP1ACHE
SCHEMBL6737529 0.74
SCHEMBL2098339 0.74 CA9 (0.40) ALDH1A1GAAMAPTHSD17B10
SCHEMBL11816254 0.74 AHR (0.43) CYP1A2METAP1MAPTPARP1PARP10

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (4 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP12 1703/4885CYP1A2 2958/4885CYP2A6 2582/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MMP12 351/4885CYP1A2 1349/4885CYP2A6 1014/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MMP12 3133/4885CYP1A2 2253/4885CYP2A6 2408/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MMP12 3133/4885CYP1A2 2253/4885CYP2A6 2408/4885

“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.