SCHEMBL469168

SCHEMBL469168

C=CC1(O)CCCC(C)C1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.34
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
GMNN O75496 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ABCB1 P08183 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
SLC2A1 P11166 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
SCN1A P35498 1/20 0.34
ADCY8 P40145 1/20 0.34

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
SCHEMBL12367678 0.86 EPHX1 (0.31) EPHX1
SCHEMBL441379 0.74 CA1 (0.31) EPHX1
SCHEMBL12883265 0.64 CYP19A1 (0.43) MAPK1CYP3A4KMT2ASMN1; SMN2CYP2C19
SCHEMBL19513338 0.64 ADCY2 (0.35) MAPK1CYP3A4TSHRGMNNBLM
SCHEMBL10834495 0.63 NPC1 (0.32) MAPK1
SCHEMBL11598728 0.63 MAPT (0.36)
SCHEMBL9418510 0.62 MEN1 (0.35) MAPK1CYP3A4KMT2ACYP2C19
SCHEMBL10835098 0.62 POLB (0.34) MAPK1CYP3A4KMT2ACYP2C19
SCHEMBL2172992 0.62 CHRM2 (0.39) CYP3A4CYP2D6HIF1ACHRM2KMT2A
SCHEMBL11941046 0.62 CYP2D6 (0.41) TSHRCYP2D6CHRM2KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481558-B2 Compounds to inhibit or augment an inflammatory response CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-09 US disclosed
US-20120065401-A1 METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-03-15 US disclosed
EP-2386565-A2 Compounds and methods to inhibit or augment an inflammatory response Cambridge Enterprise Ltd. (GB) 2011-11-16 EP disclosed
US-7989466-B2 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-02 US disclosed
US-7989466-B2 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-02 US disclosed
EP-1012187-B1 CHEMOKINE PEPTIDES, VARIANTS, DERIVATIVES AND ANALOGS. THEIR USE IN METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CAMBRIDGE ENTPR LTD (GB) 2009-08-26 EP disclosed
US-20080045557-A1 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. 2008-02-21 US disclosed
US-20080045557-A1 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. 2008-02-21 US disclosed
US-7238711-B1 Compounds and methods to inhibit or augment an inflammatory response CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. (GB) 2007-07-03 US disclosed
US-7238711-B1 Compounds and methods to inhibit or augment an inflammatory response CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. (GB) 2007-07-03 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 (2 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-20080045557-A1 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CCL2, CCL11, CCL5 MAPK1 1583/4885CYP3A4 4136/4885TSHR 1767/4885
US-20120065401-A1 METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CCL2, CCL5, CCL11 MAPK1 1589/4885CYP3A4 4397/4885TSHR 3441/4885

“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.