SCHEMBL6480262

SCHEMBL6480262

CCOC(OCC)c1cc2cc(C(=O)OC)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
PSMB8 P28062 1/20 0.43
CREBBP Q92793 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 4/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
NQO2 P16083 1/20 0.40
LCK P06239 1/20 0.40
MAPT P10636 3/20 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
SCHEMBL6480296 0.90 PSMB8 (0.47) POLBPSMB8CREBBPRAB9ANPC1
SCHEMBL13850427 0.81 TP53 (0.50) TP53POLBTHRBPSMB8CREBBP
SCHEMBL5971261 0.78 POLB (0.43) TP53POLBTHRBPSMB8CREBBP
SCHEMBL6301115 0.77 TP53 (0.49) TP53POLBTHRBPSMB8CREBBP
SCHEMBL6479841 0.76 KDM4E (0.41) TP53POLBRAB9ANPC1KDM4E
SCHEMBL5027947 0.76 F2 (0.56) TP53POLBTHRBPSMB8CREBBP
SCHEMBL6091417 0.75 TP53 (0.55) TP53POLBTHRBPSMB8CREBBP
SCHEMBL6298871 0.75 F2 (0.49) TP53POLBTHRBPSMB8CREBBP
SCHEMBL977427 0.75 TP53 (0.47) TP53POLBTHRBPSMB8CREBBP
SCHEMBL24570865 0.74 HDAC6 (0.52) TP53POLBTHRBPSMB8CREBBP

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
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 TP53 447/4885POLB 150/4885THRB 2660/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 TP53 447/4885POLB 150/4885THRB 2660/4885

“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.