SCHEMBL264527

SCHEMBL264527

COC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 5/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
PTGS2 P35354 1/20 0.50
FFAR1 O14842 1/20 0.47
KDM4E B2RXH2 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
SRD5A2 P31213 1/20 0.47
HSPB1 P04792 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 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
SCHEMBL27874614 0.90 ALDH1A1 (0.55) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3914044 0.84 THRA (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL521069 0.82 MAPT (0.57) MEN1KMT2AMAPTPTGS2KDM4E
SCHEMBL4959727 0.80 MAPT (0.55) MEN1KMT2AMAPTPTGS2KDM4E
SCHEMBL14572091 0.80 PDGFRB (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL24236050 0.79 BCL9 (0.55) KMT2AMAPTRAB9ANPC1PTGS2
SCHEMBL5695804 0.78 MEN1 (0.70) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL311582 0.78 KMT2A (0.73) MEN1KMT2AMAPTRAB9ANPC1
Acetic Acid SCHEMBL6685660 0.77 CYP2C9 (0.52) MEN1KMT2AMAPTFFAR1KDM4E
SCHEMBL23906962 0.77 MEN1 (0.63) MEN1KMT2AMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063238-B2 Diamine compound having phosphorylcholine group, polymer thereof, and process for producing the polymer TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-11-22 US disclosed
US-20100036081-A1 Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-02-11 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 (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-20100036081-A1 Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer PHOSPHO1, PCTP, PDAP1 MEN1 896/4885KMT2A 1274/4885MAPT 1277/4885

“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.