SCHEMBL5403801

SCHEMBL5403801

CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
BCL2 P10415 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL1325535 0.88
SCHEMBL29399791 0.88
Hydrochloric Acid SCHEMBL1678456 0.86 HDAC8 (0.48) HDAC8BCL2KDM4ENPC1RAB9A
SCHEMBL120909 0.85 HDAC8 (0.43) HDAC8BCL2KDM4ENPC1RAB9A
SCHEMBL29387158 0.85 HDAC8 (0.43) HDAC8BCL2KDM4ENPC1RAB9A
SCHEMBL3455043 0.84 HDAC8 (0.37) HDAC8BCL2KDM4ENPC1RAB9A
SCHEMBL30054627 0.83 HDAC8 (0.42) HDAC8BCL2KDM4ENPC1RAB9A
SCHEMBL29475405 0.81 HDAC8 (0.43) HDAC8BCL2KDM4ENPC1RAB9A
SCHEMBL5063458 0.79 KDM4E (0.35) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6681014 0.79 HDAC8 (0.38) HDAC8KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US claimed
US-7214801-B2 Condensation reagents and a process for their preparation LANXESS DEUTSCHLAND GMBH (DE) 2007-05-08 US disclosed
US-20050267174-A1 Condensation reagents and a process for their preparation RUDOLPH JOACHIM 2005-12-01 US disclosed
US-20020156287-A1 Condensation reagents and a process for their preparation LANXESS DEUTSCHLAND GMBH (DE) 2002-10-24 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 (3 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-20050267174-A1 Condensation reagents and a process for their preparation C9, QPCT, RCC1 HDAC8 4461/4885BCL2 3393/4885KDM4E 3616/4885
US-20020156287-A1 Condensation reagents and a process for their preparation RCC1, C9, CCNT1 HDAC8 4387/4885BCL2 3280/4885KDM4E 4040/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 HDAC8 4284/4885BCL2 1897/4885KDM4E 4137/4885

“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.