SCHEMBL16140282

SCHEMBL16140282

O=C(O)CCCCCCCCCCC(O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
LMNA P02545 2/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
FFAR4 Q5NUL3 3/20 0.59
FFAR1 O14842 3/20 0.59
GSTK1 Q9Y2Q3 2/20 0.56
GPR84 Q9NQS5 4/20 0.52
ALDH1A1 P00352 3/20 0.52
PPARG P37231 4/20 0.50
PPARD Q03181 4/20 0.50
PPARA Q07869 4/20 0.50
HDAC11 Q96DB2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
ENPEP Q07075 1/20 0.50
TLR2 O60603 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50

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
Adipic Acid SCHEMBL9811797 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL17477592 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL11809460 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL7860210 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL5926323 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22FFAR4
Adipic Acid SCHEMBL6361755 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL39651 0.97 LMNA (0.61) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL1258357 0.89
Arachidic Acid SCHEMBL17812737 0.89 FFAR4 (0.78) TSHRFFAR4FFAR1GPR84ALDH1A1
Palmitic Acid SCHEMBL17812630 0.89 FFAR4 (0.78) TSHRFFAR4FFAR1GPR84ALDH1A1

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-20140294902-A1 NOVEL A4B7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2014-10-02 US disclosed
US-20140294902-A1 NOVEL A4B7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2014-10-02 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-20140294902-A1 NOVEL A4B7 PEPTIDE ANTAGONISTS EPCAM, ITGB7, VCAM1 TSHR 2765/4885LMNA 4781/4885NFKB1 1069/4885

“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.