SCHEMBL1889682

SCHEMBL1889682

CCCC(=O)OCC(CCCC(=O)O)COC(=O)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
ALOX5 P09917 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL19024738 0.85 PRSS1 (0.53) ADRB2ADRB1ADRB3ALOX5MAPT
SCHEMBL19024778 0.85 PRSS1 (0.53) ADRB2ADRB1ADRB3ALOX5MAPT
SCHEMBL19024749 0.85 PRSS1 (0.53) ADRB2ADRB1ADRB3ALOX5MAPT
SCHEMBL19024788 0.85 PRSS1 (0.53) ADRB2ADRB1ADRB3ALOX5MAPT
SCHEMBL19024838 0.85 PRSS1 (0.53) ADRB2ADRB1ADRB3ALOX5MAPT
SCHEMBL19024659 0.85 PRSS1 (0.53) ADRB2ADRB1ADRB3ALOX5MAPT
SCHEMBL19024922 0.85 CYP3A4 (0.67) SMN1; SMN2MAPK1ADRB2ADRB1ADRB3
SCHEMBL19024798 0.84 CYP3A4 (0.54) ADRB2ADRB1ADRB3ALOX5MAPT
SCHEMBL25778290 0.81 CYP3A4 (0.69) MAPK1ADRB2ADRB1ADRB3ALOX5
SCHEMBL406382 0.81 ALOX5 (0.59) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4

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
US-9078864-B2 Agonists for antimicrobial peptide systems AKTHELIA PHARMACEUTICALS (IS) 2015-07-14 US disclosed
US-20110118217-A1 Agonists for Antimicrobial Peptide Systems AKTHELIA PHARMACEUTICALS (IS) 2011-05-19 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-20110118217-A1 Agonists for Antimicrobial Peptide Systems VIP, GLP1R, MAVS SMN1; SMN2 3320/4885HDAC3 2322/4885MAPK1 1838/4885

“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.