SCHEMBL7773181

SCHEMBL7773181

C=CC(C)CCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
TSHR P16473 4/20 0.45
NFKB1 P19838 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
BLM P54132 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PMP22 Q01453 1/20 0.44
GSTK1 Q9Y2Q3 2/20 0.44
AKR1B1 P15121 1/20 0.43
ENPEP Q07075 1/20 0.42

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
SCHEMBL27554254 0.98 ABCC4 (0.50) ABCC4MAPTLMNAFFAR4FFAR1
SCHEMBL23576313 0.94 TSHR (0.47) ABCC4MAPTLMNAFFAR4TSHR
SCHEMBL15026862 0.85
Adipic Acid SCHEMBL3419725 0.83 AKR1B1 (0.48) ABCC4MAPTLMNAFFAR4FFAR1
SCHEMBL27612561 0.81 GSTK1 (0.50) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL5712957 0.79 GSTK1 (0.52) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL17062972 0.79 GSTK1 (0.52) LMNAFFAR4FFAR1TSHRNFKB1
Propene SCHEMBL29115863 0.79 KDM4C (0.51) ABCC4MAPTLMNAFFAR4FFAR1
SCHEMBL17062999 0.79 GSTK1 (0.52) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL6287572 0.78 LMNA (0.50) ABCC4MAPTLMNAFFAR4FFAR1

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-20160075732-A1 RADICAL ORBITAL SWITCHING THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2016-03-17 US disclosed
WO-2001053249-A1 PROCESS FOR THE CARBONYLATION OF BUTADIENE AND/OR AT LEAST ONE BUTADIENE DERIVATIVE DSM N.V. (NL) 2001-07-26 WO disclosed
EP-1118607-A1 Process for the carbonylation of butadiene and/or at least one butadiene derivative DSM N.V. (NL) 2001-07-25 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-20160075732-A1 RADICAL ORBITAL SWITCHING RAD1, RAD54L, NQO1 ABCC4 3727/4885MAPT 3061/4885LMNA 453/4885

“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.