SCHEMBL30504176

SCHEMBL30504176

CC(=O)SCCCCCCCCCCCCBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
POLB P06746 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 1/20 0.41
PTGS2 P35354 2/20 0.40
CES2 O00748 1/20 0.34
TRPA1 O75762 1/20 0.33
CPB2 Q96IY4 1/20 0.32
GMNN O75496 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
SCHEMBL22521141 1.00 CYP2C19 (0.43) CYP2C19HDAC3HDAC4HDAC1HDAC2
SCHEMBL8427233 1.00 CYP2C19 (0.43) CYP2C19HDAC3HDAC4HDAC1HDAC2
SCHEMBL12177996 1.00 CYP2C19 (0.43) CYP2C19HDAC3HDAC4HDAC1HDAC2
SCHEMBL5502050 1.00 CYP2C19 (0.43) CYP2C19HDAC3HDAC4HDAC1HDAC2
SCHEMBL19194532 1.00 CYP2C19 (0.43) CYP2C19HDAC3HDAC4HDAC1HDAC2
SCHEMBL625045 1.00 CYP2C19 (0.43) CYP2C19HDAC3HDAC4HDAC1HDAC2
SCHEMBL10484076 0.98
SCHEMBL7879535 0.90
SCHEMBL14478080 0.87 CYP2C19 (0.52) CYP2C19HDAC3HDAC4HDAC1HDAC2
SCHEMBL6871500 0.87 CYP2C19 (0.52) CYP2C19HDAC3HDAC4HDAC1HDAC2

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-11891558-B2 Solid foam comprising mesogenic ligand-functionalized nanoparticles and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-06 US disclosed
US-11708530-B2 Organic ligands for templatable mesoscale nanocapsules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 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-11708530-B2 Organic ligands for templatable mesoscale nanocapsules EPCAM, L1CAM, ICOSLG CYP2C19 4299/4885HDAC3 4337/4885HDAC4 4823/4885

“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.