Sugi Predict

Sugi Predict / Compounds / SCHEMBL2685070

SCHEMBL2685070

SCHEMBL2685070

CCOC(=O)/C=C/c1c(C=CCCCCOC)cccc1OCCCC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.41
▸ ACHE P22303 4/20 0.39
▸ BCHE P06276 3/20 0.39
▸ LTB4R Q15722 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTPN1 P18031 3/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL2683950 0.91 ALDH1A1 (0.40) FDPSACHEBCHELTB4RLTB4R2
SCHEMBL202208 0.87 FDPS (0.35) FDPSACHEBCHELTB4RLTB4R2
SCHEMBL202209 0.87 FDPS (0.35) FDPSACHEBCHELTB4RLTB4R2
SCHEMBL202210 0.87 FDPS (0.35) FDPSACHEBCHELTB4RLTB4R2
SCHEMBL200951 0.80 FDPS (0.47) FDPSACHEBCHECYP3A4TDP1
SCHEMBL200950 0.80 FDPS (0.47) FDPSACHEBCHECYP3A4TDP1
SCHEMBL10740479 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10738850 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10740485 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10741824 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 — — US disclosed
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 — — US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 — — US disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 — — US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 — — US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 — — 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 (4 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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S FDPS 149/4885ACHE 1931/4885BCHE 1668/4885
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S FDPS 148/4885ACHE 1901/4885BCHE 1591/4885
US-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S FDPS 148/4885ACHE 1901/4885BCHE 1591/4885
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S FDPS 148/4885ACHE 1901/4885BCHE 1591/4885

“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.