SCHEMBL6922740

SCHEMBL6922740

CC(=O)C(CCCCCCCCCCC(C(C)=O)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
ACE2 Q9BYF1 1/20 0.40
NOS2 P35228 3/20 0.39
CPB2 Q96IY4 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
TBXAS1 P24557 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36

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
SCHEMBL15249458 0.97 GPR84 (0.43) GPR84FFAR1MAPTLCKPPARD
SCHEMBL12851375 0.97 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2718891 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5972273 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1557044 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8469082 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2702837 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1027845 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5972279 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL17480708 0.91 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156029-B1 Derivatives of acetoacetic acid, their process of preparation and their use BASF AG (DE) 2003-06-18 EP disclosed
US-6515154-B2 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2003-02-04 US disclosed
US-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2001-12-27 US disclosed
EP-1156029-A1 Derivatives of acetoacetic acid, their process of preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2001-11-21 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-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use ACMSD, MLYCD, HADHB GPR84 3106/4885FFAR1 50/4885MAPT 4198/4885

“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.