SCHEMBL3596883

SCHEMBL3596883

O=C(O)CCCCC(CO)CCCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.61
LMNA P02545 3/20 0.55
NFKB1 P19838 2/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
ENPEP Q07075 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
ALDH1A1 P00352 1/20 0.45
AKR1B1 P15121 1/20 0.44
CYP2D6 P10635 1/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL4796411 0.98 GSTK1 (0.63) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL29234488 0.98 GSTK1 (0.63) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL2181037 0.98 GSTK1 (0.63) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL31109139 0.98 GSTK1 (0.63) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL15264615 0.98 GSTK1 (0.63) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL31015822 0.98 GSTK1 (0.63) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL31015823 0.98 GSTK1 (0.63) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL4799643 0.95 GSTK1 (0.67) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL8876658 0.95 GSTK1 (0.61) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL28812185 0.93 FFAR1 (0.56) GSTK1LMNANFKB1TSHRPMP22

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-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA GSTK1 3127/4885LMNA 2227/4885NFKB1 1054/4885

“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.