SCHEMBL8209508

SCHEMBL8209508

COC(=O)C(C)(C)CC(C)(C)Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.38
KCNN4 O15554 1/20 0.34
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRC P12931 1/20 0.31
CNR2 P34972 1/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL17574065 0.85 DGAT1 (0.44) DGAT1KCNN4SRCPRSS1CTSG
SCHEMBL4304192 0.84 DGAT1 (0.37) DGAT1KCNN4LMNAKMT2ASMN1; SMN2
SCHEMBL14959853 0.80 DGAT1 (0.34) DGAT1KCNN4TSHRNPSR1
SCHEMBL786780 0.80 DGAT1 (0.41) DGAT1KCNN4TSHR
SCHEMBL22105961 0.79 DGAT1 (0.41) DGAT1
SCHEMBL13228527 0.79 DGAT1 (0.37) DGAT1TSHRNPSR1
SCHEMBL12690948 0.78 DGAT1 (0.39) DGAT1KCNN4TSHR
SCHEMBL16807263 0.78 DGAT1 (0.39) DGAT1KCNN4TSHR
SCHEMBL12690945 0.78 DGAT1 (0.39) DGAT1KCNN4TSHR
SCHEMBL10093742 0.78 DGAT1 (0.39) DGAT1KCNN4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3673921-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN Baxalta GmbH (CH) 2020-07-01 EP disclosed
EP-2654794-B1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN Baxalta GmbH (CH) 2020-03-04 EP disclosed
US-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE ASYMCHEM LABORATORIES (FUXIN) CO., LTD. (CN) 2017-05-18 US disclosed
WO-2011134538-A1 DIYNE COMPOSITIONS EVOLVA LTD (CH) 2011-11-03 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033745-A2 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO 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-20170136450-A1 POLYMER CONTAINING CARBOXYL GROUP, PREPARATION METHOD AND APPLICATION THEREOF, SUPPORTED CATALYST AND PREPARATION METHODS THEREOF AND PREPARATION METHODS OF PENEM ANTIBIOTIC INTERMEDIATE PGM2, MGAM, MRPL21 DGAT1 4368/4885KCNN4 948/4885LMNA 1127/4885

“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.