SCHEMBL2435306

SCHEMBL2435306

COc1ccc(C(C)(CCCO)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ KIF11 P52732 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39

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 0.83 ALDH1A1 (0.45) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL7606639 0.81 KIF11 (0.46) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL15355750 0.80 CNR2 (0.46) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL1637413 0.79 ESR1 (0.56) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL22150730 0.77 KIF11 (0.71) LMNAKIF11KCNH2SMN1; SMN2
SCHEMBL17472445 0.77 NPC1 (0.43) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL2439740 0.77 CA1 (0.44) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL7736545 0.76 CYP2C19 (0.41) ALDH1A1LMNAALOX15MAPK1KIF11
SCHEMBL21254283 0.76 ESR2 (0.54) ALDH1A1KIF11KCNH2MAPTRAB9A
SCHEMBL7708779 0.76 KIF11 (0.69) LMNAKIF11KCNH2SMN1; 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 21 patents — showing the first 20. 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-7297456-B2 Photoconductors containing crosslinked polycarbonate polymers XEROX CORPORATION (US) 2007-11-20 — — US disclosed
US-7229606-B2 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-7229732-B2 Imaging members with crosslinked polycarbonate in charge transport layer XEROX CORPORATION (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
US-7060250-B2 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. (US) 2006-06-13 — — US 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-20040202613-A1 Chelate compounds EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-10-14 — — US disclosed
US-6676929-B2 MEDICAL DIAGNOSIS; GADOFOSVESET EPIX MEDICAL, INC. 2004-01-13 — — 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
US-20020164289-A1 Medical diagnosis CITIZENS BANK, N.A. 2002-11-07 — — US 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 (8 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-20020164289-A1 Medical diagnosis FABP1, B2M, MB ALDH1A1 2948/4885LMNA 2326/4885ALOX15 3443/4885
US-20070003479-A1 Diagnostic imaging contrast agents with extended blood retention FABP1, B2M, BHMT ALDH1A1 2702/4885LMNA 2199/4885ALOX15 3566/4885
US-20030180223-A1 Magnetic resonance imaging BHMT, FABP1, FABP7 ALDH1A1 3269/4885LMNA 2703/4885ALOX15 3748/4885
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 ALDH1A1 2826/4885LMNA 1618/4885ALOX15 3729/4885
US-20070020185-A1 Diagnostic imaging contrast agents with extended blood retention FABP1, B2M, BHMT ALDH1A1 2702/4885LMNA 2199/4885ALOX15 3566/4885
US-20120107249-A1 Diagnostic Imaging Contrast Agents with Extended Blood Retention FABP1, B2M, BHMT ALDH1A1 2702/4885LMNA 2199/4885ALOX15 3566/4885
US-20040202613-A1 Chelate compounds FABP1, BHMT, FABP3 ALDH1A1 3477/4885LMNA 3566/4885ALOX15 3881/4885
US-20070020184-A1 Diagnostic imaging contrast agents with extended blood retention FABP1, B2M, BHMT ALDH1A1 2702/4885LMNA 2199/4885ALOX15 3566/4885

“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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