SCHEMBL10062010

SCHEMBL10062010

O=C(OCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
GAA P10253 2/20 0.51
MAPT P10636 4/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
MGLL Q99685 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CRHBP P24387 1/20 0.44

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
SCHEMBL125510 1.00 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL409598 0.95 HTR2A (0.59) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL25671638 0.94 HTR2A (0.51) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL15798301 0.93 HTR2A (0.50) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL3797826 0.93 BCL9 (0.50) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL23044637 0.93 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL1104745 0.93 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL30233044 0.93 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL12082016 0.93 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL30232973 0.93 BCL9 (0.57) HTR2ABCL9CTNNB1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373997-A1 IMDQ-PEG-CHOL ADJUVANT AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-11-23 US disclosed
US-20230364262-A1 VIA CYCLOADDITION BILATERALLY FUNCTIONALIZED ANTIBODIES SYNAFFIX B.V. (NL) 2023-11-16 US disclosed
US-20230190951-A1 CONJUGATES OF ANTIBODIES AN IMMUNE CELL ENGAGERS SYNAFFIX B.V. (NL) 2023-06-22 US disclosed
WO-2021144314-A1 VIA CYCLOADDITION BILATERALLY FUNCTIONALIZED ANTIBODIES SYNAFFIX B.V. (NL) 2021-07-22 WO disclosed
WO-2021144315-A1 CONJUGATES OF ANTIBODIES AN IMMUNE CELL ENGAGERS SYNAFFIX B.V. (NL) 2021-07-22 WO disclosed
WO-2021144313-A1 VIA CYCLOADDITION BILATERALLY FUNCTIONALIZED ANTIBODIES SYNAFFIX B.V. (NL) 2021-07-22 WO disclosed
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

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-20090220615-A1 Main Chain Acid-Degradable Polymers for the Delivery of Bioactive Materials CTSA, GAA, CTSB HTR2A 4460/4885BCL9 2681/4885CTNNB1 4860/4885
US-20230190951-A1 CONJUGATES OF ANTIBODIES AN IMMUNE CELL ENGAGERS FCGR3B, FCGR1A, FCGR2A HTR2A 4526/4885BCL9 263/4885CTNNB1 4240/4885
US-20230364262-A1 VIA CYCLOADDITION BILATERALLY FUNCTIONALIZED ANTIBODIES FCGR1A, FCGR3B, FCGR2A HTR2A 3523/4885BCL9 867/4885CTNNB1 2737/4885
US-20230373997-A1 IMDQ-PEG-CHOL ADJUVANT AND USES THEREOF LY96, MYD88, CD14 HTR2A 4337/4885BCL9 2327/4885CTNNB1 4850/4885

“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.