SCHEMBL6400054

SCHEMBL6400054

COc1ccc(C2(O)OC(=O)CC2(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40
EDNRA P25101 3/20 0.39
EDNRB P24530 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
PRTN3 P24158 1/20 0.38
ALDH1A1 P00352 4/20 0.37

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
SCHEMBL8115608 0.68 GLA (0.41) EDNRAEDNRBCA1CA2CA7
SCHEMBL1279691 0.66 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL31086937 0.65 MAPT (0.47) EDNRAEDNRBCA1CA2CA4
SCHEMBL6665328 0.65 EDNRA (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL28299186 0.64 OPRM1 (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL20790324 0.64 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL8187703 0.64 BACE1 (0.40) KMT2AALDH1A1KDM4EL3MBTL1ATM
SCHEMBL613812 0.64 OPRM1 (0.50) KMT2AALDH1A1SMN1; SMN2HSD11B1HTT
SCHEMBL2033743 0.64 CFTR (0.47) CA1CA2KMT2AL3MBTL1HSD11B1
SCHEMBL19438755 0.64 KMT2A (0.54) CA1CA2KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK CHRNA1 3542/4885CHRNG 4280/4885CHRNB1 3972/4885

“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.