SCHEMBL17036862

SCHEMBL17036862

CC(=O)SCCCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL16883906 0.93 CYP2C19 (0.43) CYP2C19POLBBLMATMHDAC3
SCHEMBL8195036 0.84 CYP2C19 (0.40) CYP2C19POLBBLMATMHDAC3
SCHEMBL8282506 0.83 CYP2C19 (0.46) CYP2C19POLBBLMATMHDAC3
SCHEMBL15403801 0.83 CYP2C19 (0.39) CYP2C19POLBBLMATMHDAC3
SCHEMBL27822244 0.83 CYP2C19 (0.55) CYP2C19POLBBLMATMHDAC3
SCHEMBL15402225 0.81 HDAC3 (0.38) CYP2C19POLBBLMATMHDAC3
SCHEMBL20078059 0.81 CYP2C19 (0.38) CYP2C19POLBBLMATMHDAC3
SCHEMBL17036865 0.80 FFAR1 (0.31) FFAR1CPT2TDP1
SCHEMBL17036863 0.80 TDP1 (0.33) FFAR1CPT2TDP1
SCHEMBL9995801 0.80 CYP2C19 (0.40) CYP2C19POLBBLMATMHDAC3

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-9950001-B2 Polynucleotides having bioreversible groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-24 US disclosed
US-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 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-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS RNASE1, NCL, LNPEP CYP2C19 4723/4885POLB 53/4885BLM 344/4885

“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.