SCHEMBL2780957

SCHEMBL2780957

O=C(O)CCCCCCC(=O)C(=O)O

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.71
LMNA P02545 3/20 0.71
NFKB1 P19838 1/20 0.71
PMP22 Q01453 1/20 0.71
OR51E2 Q9H255 2/20 0.63
MAPK1 P28482 1/20 0.63
SLC13A3 Q8WWT9 1/20 0.63
EGLN1 Q9GZT9 1/20 0.63
GPR84 Q9NQS5 8/20 0.57
FFAR1 O14842 2/20 0.57
FFAR4 Q5NUL3 2/20 0.57
SLC22A6 Q4U2R8 2/20 0.56
PPARG P37231 6/20 0.55
PPARD Q03181 6/20 0.55
PPARA Q07869 6/20 0.55
HDAC11 Q96DB2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 2/20 0.55

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
SCHEMBL2780784 1.00 TSHR (0.71) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL9186388 1.00 TSHR (0.71) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL20537125 1.00 TSHR (0.71) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL9794734 1.00 TSHR (0.71) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL4389370 1.00 TSHR (0.71) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL10592204 1.00 TSHR (0.71) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL2993356 1.00 TSHR (0.71) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL15054423 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL14357994 0.97 LMNA (0.69) TSHRLMNANFKB1PMP22OR51E2
SCHEMBL259198 0.97 LMNA (0.69) TSHRLMNANFKB1PMP22OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728133-B2 Stable pharmaceutical compositions B&G PARTNERS LLC 2010-06-01 US disclosed
US-20050130975-A1 Stable pharmaceutical compositions B&G PARTNERS LLC 2005-06-16 US disclosed
US-6825196-B2 SUCH AS 1-HYDRAZINOPHTHALAZINE; METAL-FREE BARBEAU PHARMA, INC. 2004-11-30 US disclosed
US-6821974-B2 VASODILATION; HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS BARBEAU PHARMA, INC 2004-11-23 US disclosed
US-4622301-A DISINTEGRATION OF PROTEUS BASF AKTIENGESELLSCHAFT (DE) 1986-11-11 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-20050130975-A1 Stable pharmaceutical compositions CYP3A7, NR1H2, CYP2B6 TSHR 2122/4885LMNA 2421/4885NFKB1 2428/4885

“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.