SCHEMBL2380082

SCHEMBL2380082

CCCCCCC(O)COC(=O)C1CCCC(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TBXAS1 P24557 1/20 0.39
EPHX2 P34913 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER2 P43116 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2397687 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2382105 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2379282 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2380809 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2381346 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2380540 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2380577 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2380777 0.88 EPHX2 (0.38) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2379109 0.87 GPR84 (0.45) ADRB2ADRB1ADRB3GPR84FFAR1
SCHEMBL2380579 0.87 GPR84 (0.45) ADRB2ADRB1ADRB3GPR84FFAR1

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-8535436-B2 Use of cyclohexane polycarboxylic acid derivatives for removing dust from chemical construction products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-09-17 US disclosed
US-20110232825-A1 CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS BASF SE (DE) 2011-09-29 US disclosed
US-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-09-01 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-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPD, HCAR2 ADRB2 4247/4885ADRB1 4208/4885ADRB3 4455/4885

“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.