SCHEMBL23219868

SCHEMBL23219868

Fc1ccc(CCOC2CCCCO2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
KDM4C Q9H3R0 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
GRM5 P41594 1/20 0.33
P2RX7 Q99572 1/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
SLC6A2 P23975 1/20 0.31
P2RX3 P56373 2/20 0.31
PKM P14618 1/20 0.31
GRIN2B Q13224 1/20 0.31
HTR1A P08908 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
SCHEMBL875673 0.90 L3MBTL1 (0.57) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL2284090 0.87 L3MBTL1 (0.47) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL8580077 0.87 L3MBTL1 (0.59) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL772902 0.81 KDM4C (0.53) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL30076909 0.79 L3MBTL1 (0.52) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL10214559 0.79 L3MBTL1 (0.47) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL2649803 0.77 KDM4C (0.52) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL24252402 0.77 KDM4C (0.46) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL12963637 0.77 NPC1 (0.47) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL27263264 0.77 KDM4C (0.46) L3MBTL1KDM4CNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase THE PENN STATE RESEARCH FOUNDATION (US) 2021-04-13 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-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase PTPRO, PTPRR, PPP1R1B L3MBTL1 3232/4885KDM4C 3546/4885NPC1 4695/4885

“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.