SCHEMBL3935151

SCHEMBL3935151

C=CCOCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ABCC4 O15439 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 3/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CAMK2A Q9UQM7 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL1967454 0.94 ABCC4 (0.52) TSHRABCC4MAPTLMNASLC22A6
SCHEMBL16636360 0.92 ABCC4 (0.55) TSHRABCC4MAPTLMNASLC22A6
SCHEMBL25756048 0.92 ABCC4 (0.55) TSHRABCC4MAPTLMNASLC22A6
SCHEMBL8215072 0.92 ABCC4 (0.55) TSHRABCC4MAPTLMNASLC22A6
SCHEMBL28559661 0.92 ABCC4 (0.55) TSHRABCC4MAPTLMNASLC22A6
Adipic Acid SCHEMBL7135978 0.86 ABCC4 (0.58) TSHRABCC4MAPTLMNASLC22A6
SCHEMBL222657 0.86
Adipic Acid SCHEMBL3224275 0.86 ABCC4 (0.48) TSHRABCC4MAPTLMNASLC22A6
SCHEMBL23728834 0.83 TSHR (0.40) TSHRABCC4MAPTLMNASLC22A6
SCHEMBL5038496 0.83 MEN1 (0.36) TSHRMAPTLMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335373-A Compound and use thereof 福宏治疗公司 2022-11-11 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1951743-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 EP disclosed
US-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2046761-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008009750-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2000031012-A1 PROCESS FOR PRODUCTION OF AN ALLYLOXY CARBOXYLIC ACID PERSTORP AB (SE) 2000-06-02 WO disclosed
EP-0459369-B1 Fluorine-containing polymer for paints and paint composition containing the polymer DAIKIN IND LTD (JP) 1995-03-15 EP disclosed
US-5171804-A Electrodeposition coating DAIKIN INDUSTRIES, LTD. (JP) 1992-12-15 US disclosed
EP-0459369-A1 Fluorine-containing polymer for paints and paint composition containing the polymer DAIKIN INDUSTRIES, LTD. (JP) 1991-12-04 EP 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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP TSHR 4689/4885ABCC4 643/4885MAPT 61/4885

“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.