SCHEMBL763093

SCHEMBL763093

CC(C)(CCC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
GAA P10253 1/20 0.53
HTR2A P28223 1/20 0.50
MGLL Q99685 2/20 0.48
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ELANE P08246 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL15486850 0.90 BCL9 (0.48) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL6359040 0.90 BCL9 (0.56) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL903436 0.90 BCL9 (0.52) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL13073179 0.89 BCL9 (0.47) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL15491284 0.89 GAA (0.49) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL19112643 0.89 BCL9 (0.47) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL6348206 0.88 BCL9 (0.51) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL31488048 0.88 BCL9 (0.51) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL2802479 0.88 MGLL (0.57) BCL9CTNNB1GAAHTR2AMGLL
SCHEMBL15487706 0.88 BCL9 (0.49) BCL9CTNNB1GAAHTR2AMGLL

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
US-8137700-B2 Main chain acid-degradable polymers for the delivery of bioactive materials U.S. DEPARTMENT OF ENERGY (US) 2012-03-20 US disclosed
US-20090220615-A1 Main Chain Acid-Degradable Polymers for the Delivery of Bioactive Materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-09-03 US disclosed
EP-0395992-B1 Radiosensitive polymer and positive working recording material BASF AG (DE) 1996-03-13 EP disclosed
US-5453341-A Radiation-sensitive polymers and positive-working recording materials SCHWALM REINHOLD (DE) 1995-09-26 US disclosed
US-5260410-A Photodegradation, semiconductor photoresists SCHWALM REINHOLD (DE) 1993-11-09 US disclosed
EP-0395992-A2 Radiosensitive polymer and positive working recording material BASF Aktiengesellschaft (DE) 1990-11-07 EP 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-20090220615-A1 Main Chain Acid-Degradable Polymers for the Delivery of Bioactive Materials CTSA, GAA, CTSB BCL9 2681/4885CTNNB1 4860/4885GAA 2/4885

“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.