SCHEMBL2439740

SCHEMBL2439740

[CH2]CCC(C)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ KIF11 P52732 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL5957318 0.78 ALDH1A1 (0.45) CA1CA2CA7CA9CA12
SCHEMBL8327715 0.77 KIF11 (0.50) CA1CA2CA7CA9CA12
SCHEMBL19652451 0.77 LMNA (0.41) CA1CA2CA7CA9CA12
SCHEMBL2435306 0.77 ALDH1A1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL4742924 0.77 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL15355750 0.76 CNR2 (0.46) CA1CA2CA7CA9CA12
SCHEMBL13537066 0.75 MAPK1 (0.49) CA1CA2CA7CA9CA12
SCHEMBL19318211 0.74 ACHE (0.52) CA1CA2ALDH1A1ALOX15MAPK1
SCHEMBL11569782 0.74 KIF11 (0.64) KIF11KCNH2SMN1; SMN2
SCHEMBL25620281 0.74 LTA4H (0.52) ALDH1A1TDP1KIF11KCNH2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394356-B2 Diagnostic imaging contrast agents with extended blood retention LANTHEUS MEDICAL IMAGING, INC. (US) 2013-03-12 — — US disclosed
US-20120107249-A1 Diagnostic Imaging Contrast Agents with Extended Blood Retention LANTHEUS MEDICAL IMAGING, INC. (US) 2012-05-03 — — US disclosed
US-8017105-B2 Diagnostic imaging contrast agents with extended blood retention LANTHEUS MEDICAL IMAGING, INC. (US) 2011-09-13 — — US disclosed
US-7229606-B2 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-20070020185-A1 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. A DELAWARE CORPORATION 2007-01-25 — — US disclosed
US-20070020184-A1 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. A DELAWARE CORPORATION 2007-01-25 — — US disclosed
US-20070003479-A1 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC., A DELAWARE CORPORATION 2007-01-04 — — US disclosed
EP-1716871-A2 Diagnostic imaging contrast agents with extended blood retention EPIX Pharmaceuticals, Inc. (US) 2006-11-02 — — EP disclosed
EP-0806968-B1 DIAGNOSTIC IMAGING CONTRAST AGENTS WITH EXTENDED BLOOD RETENTION EPIX PHARM INC (US) 2006-10-18 — — EP disclosed
US-7011815-B2 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. (US) 2006-03-14 — — US disclosed
US-20040208827-A1 MEDICAL DIAGNOSIS; examining vasculature of a tissue, obtains a NMR image; reducing renal and hepatocellular uptake, lost less from the bloodstream, use a lower doses, retained by the blood for a prolonged period of time EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-10-21 — — US disclosed
US-20030180223-A1 Magnetic resonance imaging LANTHEUS MEDICAL IMAGING, INC. 2003-09-25 — — US disclosed
WO-2003029257-A1 (ETHYLENE)-(PROPENE/BUTENE)-PHOSPHODIESTER TRIAMINE PENTAACETIC ACID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-10 — — WO disclosed
EP-0806968-A2 DIAGNOSTIC IMAGING CONTRAST AGENTS WITH EXTENDED BLOOD RETENTION Epix Medical, Inc. (US) 1997-11-19 — — EP disclosed
WO-1996023526-A2 DIAGNOSTIC IMAGING CONTRAST AGENTS WITH EXTENDED BLOOD RETENTION EPIX MEDICAL, INC. (US) 1996-08-08 — — WO 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 (6 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-20070003479-A1 Diagnostic imaging contrast agents with extended blood retention FABP1, B2M, BHMT CA1 3515/4885CA2 3525/4885CA7 2267/4885
US-20030180223-A1 Magnetic resonance imaging BHMT, FABP1, FABP7 CA1 3456/4885CA2 3512/4885CA7 2874/4885
US-20040208827-A1 MEDICAL DIAGNOSIS; examining vasculature of a tissue, obtains a NMR image; reducing renal and hepatocellular uptake, lost less from the bloodstream, use a lower doses, retained by the blood for a prolonged period of time FABP1, BHMT, FABP3 CA1 3203/4885CA2 2228/4885CA7 1589/4885
US-20070020185-A1 Diagnostic imaging contrast agents with extended blood retention FABP1, B2M, BHMT CA1 3515/4885CA2 3525/4885CA7 2267/4885
US-20120107249-A1 Diagnostic Imaging Contrast Agents with Extended Blood Retention FABP1, B2M, BHMT CA1 3515/4885CA2 3525/4885CA7 2267/4885
US-20070020184-A1 Diagnostic imaging contrast agents with extended blood retention FABP1, B2M, BHMT CA1 3515/4885CA2 3525/4885CA7 2267/4885

“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.

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