SCHEMBL3105018

SCHEMBL3105018

COC(=O)Cc1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
ALOX5 P09917 2/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
PPARG P37231 1/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL10758800 0.93 LTA4H (0.51) LTA4HALOX5ALDH1A1RAB9ANPC1
SCHEMBL392863 0.87 ALOX5 (0.66) ALOX5ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16511748 0.85 LTB4R (0.57) LTA4HALOX5ALDH1A1RAB9ANPC1
SCHEMBL3335445 0.84 FFAR1 (0.63) LTA4HALOX5RAB9ANPC1PPARG
SCHEMBL8037910 0.83 ALOX5 (0.61) ALOX5ALDH1A1RAB9ANPC1PPARG
SCHEMBL17239663 0.82 PPARG (0.53) ALOX5ALDH1A1RAB9APPARGMAPT
SCHEMBL25686475 0.82 MAPT (0.75) ALDH1A1RAB9ANPC1PPARGMAPT
SCHEMBL12688084 0.82 FFAR1 (0.65) LTA4HMEN1KMT2ALTB4RLTB4R2
SCHEMBL3099537 0.82 L3MBTL1 (0.56) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL6595110 0.81 L3MBTL1 (0.76) LTA4HALOX5ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 LTA4H 818/4885ALOX5 1105/4885ALDH1A1 1908/4885

“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.