SCHEMBL6480296

SCHEMBL6480296

CCOC(OCC)c1cc2ccc(C(=O)OC)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.47
CREBBP Q92793 1/20 0.45
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA1 P00915 1/20 0.41
XDH P47989 1/20 0.41
LCK P06239 1/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAOB P27338 2/20 0.40
HPGD P15428 2/20 0.40
HDAC1 Q13547 2/20 0.40
GLA P06280 1/20 0.40
CA3 P07451 1/20 0.40
GAA P10253 1/20 0.40
CA4 P22748 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
SCHEMBL6480262 0.90 TP53 (0.46) PSMB8CREBBPCA12CA2CA7
SCHEMBL6479841 0.86 KDM4E (0.41) CA9KDM4EALDH1A1HDAC6HPGD
SCHEMBL1390900 0.81 PSMB8 (0.50) PSMB8CREBBPCA12CA2CA7
SCHEMBL12432252 0.77 PSMB8 (0.46) PSMB8CREBBPCA12CA2CA7
SCHEMBL5031812 0.77 HDAC6 (0.54) PSMB8CREBBPCA12CA2CA7
SCHEMBL15159374 0.76 PSMB8 (0.43) PSMB8CREBBPCA12CA2CA7
SCHEMBL6090295 0.76 PSMB8 (0.54) PSMB8CREBBPCA12CA2CA7
SCHEMBL28125379 0.76 PSMB8 (0.54) PSMB8CREBBPCA12CA2CA7
SCHEMBL10290842 0.76 HDAC6 (0.50) PSMB8CREBBPCA12CA2CA7
SCHEMBL31683272 0.75 HDAC6 (0.68) PSMB8CREBBPCA12CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021160132-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2021-08-19 WO disclosed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (2 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 PSMB8 3719/4885CREBBP 2664/4885CA12 637/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 PSMB8 3719/4885CREBBP 2664/4885CA12 637/4885

“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.