SCHEMBL26545906

SCHEMBL26545906

C=C1N(CCOCCOCCOC)c2ccc(C)cc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
MDM2 Q00987 3/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
POLB P06746 2/20 0.32
RCE1 Q9Y256 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL26207778 0.92 MAPT (0.38) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL4975848 0.77 PTGDR2 (0.47) KDM4EHTTMDM2ALDH1A1LMNA
SCHEMBL4982011 0.76 KMT2A (0.44) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL9750249 0.76 KMT2A (0.39) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL14440502 0.73 KMT2A (0.41) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL14428040 0.72 KMT2A (0.40) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL19116479 0.71 KMT2A (0.42) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL14428033 0.71
SCHEMBL5007535 0.71 MDM2 (0.37) MDM2ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL4603835 0.71 KMT2A (0.53) MAPTMEN1KMT2AKDM4EHTT

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-20230382857-A1 HEPTAMETHINE CYANINES FOR USE AS FLUORESCENT MARKERS OF THE BILIARY AND RENAL SYSTEMS CHILDREN'S NATIONAL MEDICAL CENTER (US) 2023-11-30 US disclosed
US-11787764-B2 Heptamethine cyanines for use as fluorescent markers of the biliary and renal systems CHILDREN'S NATIONAL MEDICAL CENTER (US) 2023-10-17 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 (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-11787764-B2 Heptamethine cyanines for use as fluorescent markers of the biliary and renal systems CD68, PAX2, PYGL MAPT 3283/4885MEN1 512/4885KMT2A 2922/4885
US-20230382857-A1 HEPTAMETHINE CYANINES FOR USE AS FLUORESCENT MARKERS OF THE BILIARY AND RENAL SYSTEMS CD68, HCCS, NR1H4 MAPT 3765/4885MEN1 572/4885KMT2A 3008/4885

“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.