SCHEMBL9543080

SCHEMBL9543080

CC(C)C(CCCCCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
FFAR4 Q5NUL3 2/20 0.50
FFAR1 O14842 2/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GSTK1 Q9Y2Q3 1/20 0.47
GPR84 Q9NQS5 6/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL14809029 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL8812364 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL14809589 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL14809110 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL14809724 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL14809409 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL15823201 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL14809649 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL14809972 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1
SCHEMBL14809714 1.00 TSHR (0.50) TSHRFFAR4FFAR1LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
WO-1993007240-A1 PROCESS FOR PRODUCING FLUIDS OF ENHANCED THERMAL STABILITY EXXON CHEMICAL PATENTS INC. (US) 1993-04-15 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL TSHR 1255/4885FFAR4 461/4885FFAR1 302/4885

“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.