SCHEMBL1280427

SCHEMBL1280427

CCCCC(C(=O)O)C(=O)CCCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
CES2 O00748 1/20 0.44
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL28022765 0.96 FFAR1 (0.49) FFAR1FFAR4ACE2GPR84CES2
SCHEMBL28023419 0.96 FFAR1 (0.49) FFAR1FFAR4ACE2GPR84CES2
SCHEMBL9379674 0.96 FFAR1 (0.49) FFAR1FFAR4ACE2GPR84CES2
SCHEMBL28022714 0.93 ACE2 (0.49) FFAR1FFAR4ACE2GPR84CES2
SCHEMBL28023364 0.93 ACE2 (0.49) FFAR1FFAR4ACE2GPR84CES2
SCHEMBL28852949 0.93 ACE2 (0.49) FFAR1FFAR4ACE2GPR84CES2
SCHEMBL30448065 0.93 LTA4H (0.48) FFAR1FFAR4ACE2GPR84LTA4H
SCHEMBL30010163 0.93 LTA4H (0.48) FFAR1FFAR4ACE2GPR84LTA4H
SCHEMBL28445541 0.93 LTA4H (0.48) FFAR1FFAR4ACE2GPR84LTA4H
SCHEMBL28184413 0.89 ACE2 (0.43) FFAR1FFAR4ACE2GPR84LTA4H

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
CN-106590908-B Steam rust-proof fully-synthetic ferrous metal grinding fluid 清华大学天津高端装备研究院 2020-02-21 CN disclosed
US-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 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-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME F12, ADH1A, ADH1C FFAR1 712/4885FFAR4 2163/4885ACE2 3458/4885

“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.