SCHEMBL1800630

SCHEMBL1800630

CCC(Br)CCCCCCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 4/20 0.50
LMNA P02545 4/20 0.46
ALDH1A1 P00352 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 2/20 0.42
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
EPHX2 P34913 1/20 0.40
PPARA Q07869 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39

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
SCHEMBL9396622 0.98 TSHR (0.52) L3MBTL1TSHRLMNAALDH1A1ZDHHC7
SCHEMBL18124155 0.87 ZDHHC7 (0.51) L3MBTL1TSHRLMNAALDH1A1ZDHHC7
SCHEMBL11456570 0.87 ZDHHC7 (0.56) L3MBTL1TSHRLMNAZDHHC7PPARG
SCHEMBL9860092 0.87 ZDHHC7 (0.56) L3MBTL1TSHRLMNAZDHHC7PPARG
SCHEMBL1040363 0.85 TSHR (0.50) L3MBTL1TSHRLMNAALDH1A1ZDHHC7
SCHEMBL10690002 0.85 TSHR (0.50) L3MBTL1TSHRLMNAALDH1A1ZDHHC7
SCHEMBL11370272 0.84 TSHR (0.50) L3MBTL1TSHRLMNAALDH1A1ZDHHC7
SCHEMBL8103969 0.84 TDP1 (0.49) TSHRLMNAALDH1A1CYP3A4ATM
SCHEMBL11821953 0.81 TSHR (0.54) L3MBTL1TSHRLMNAALDH1A1ZDHHC7
SCHEMBL2499138 0.81 L3MBTL1 (0.54) L3MBTL1TSHRLMNAALDH1A1CYP3A4

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
US-8410309-B2 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-04-02 US disclosed
US-7951971-B1 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-31 US disclosed
EP-1226104-B1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2009-04-08 EP disclosed
US-20060264513-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2006-11-23 US disclosed
US-7129274-B1 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2006-10-31 US disclosed
EP-1226104-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2002-07-31 EP disclosed
WO-2001032596-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2001-05-10 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-20060264513-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SLC46A1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS L3MBTL1 4222/4885TSHR 3723/4885LMNA 696/4885

“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.