SCHEMBL4225608

SCHEMBL4225608

COc1ccc(OC(=O)On2ncc3ccccc3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ NPBWR1 P48145 4/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ PLA2G10 O15496 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 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
SCHEMBL29462183 0.80 TDP1 (0.44) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL14519215 0.75 NPC1 (0.47) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL11322012 0.74 ELANE (0.54) ALDH1A1NPC1RAB9AKMT2AELANE
SCHEMBL30579886 0.70 TDP1 (0.64) TDP1ALDH1A1NPC1RAB9ANPBWR1
SCHEMBL31051613 0.69 CA12 (0.46) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL7366940 0.68 NPC1 (0.50) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL7589532 0.68 NPC1 (0.50) TDP1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7889097 0.66 NPC1 (0.51) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL5696756 0.66 CA4 (0.61) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1398350 0.65 CES2 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A

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-20130108554-A1 CONTRAST AGENTS NORTHWESTERN UNIVERSITY (US) 2013-05-02 — — US disclosed
US-8337813-B2 Contrast agents NORTHWESTERN UNIVERSITY (US) 2012-12-25 — — US disclosed
US-20090269284-A1 CONTRAST AGENTS NORTHWESTERN UNIVERSITY (US) 2009-10-29 — — US disclosed
WO-2009036441-A2 CONTRAST AGENTS NORTHWESTERN UNIVERSITY (US) 2009-03-19 — — WO disclosed
EP-1613351-A1 TARGETED AGENTS FOR BOTH PHOTODIAGNOSIS AND PHOTODYNAMIC THERAPY MPA Technologies, Inc. (US) 2006-01-11 — — EP disclosed
EP-1558137-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING Research Corporation Technologies (US) 2005-08-03 — — EP disclosed
US-20040247527-A1 Multifunctional photodynamic agents for treating of disease MPA TECHNOLOGIES, INC. 2004-12-09 — — US disclosed
WO-2004080483-A1 TARGETED AGENTS FOR BOTH PHOTODIAGNOSIS AND PHOTODYNAMIC THERAPY MPA TECHNOLOGIES, INC. (US) 2004-09-23 — — WO disclosed
US-20040146463-A1 Functional MRI agents for cancer imaging NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-29 — — US disclosed
WO-2004037210-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2004-05-06 — — WO disclosed
US-6673333-B1 COMPRISING A FIRST GD(III) ION BOUND TO A FIRST CHELATOR; GD(III) ION HAS COORDINATION ATOMS IN AT LEAST 7 COORDINATION SITES; BOUND TO TUMOR ASSOCIATED ACTIVATIVLE GUARDING MOIETY RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-01-06 — — US disclosed
US-20030021750-A1 Novel functional agents for magnetic resonance imaging METAPROBE, INC. 2003-01-30 — — US disclosed
EP-1278552-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2003-01-29 — — EP disclosed
WO-2002080757-A2 NOVEL FUNCTIONAL AGENTS FOR MAGNETIC RESONANCE IMAGING METAPROBE, INC. (US) 2002-10-17 — — WO disclosed
WO-2001082976-A2 FUNCTIONAL MRI AGENTS FOR CANCER IMAGING RESEARCH CORPORATION TECHNOLOGIES (US) 2001-11-08 — — 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 (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-20030021750-A1 Novel functional agents for magnetic resonance imaging FABP7, RXFP1, MRGPRX2 TDP1 3521/4885L3MBTL1 4204/4885ALDH1A1 3937/4885
US-20040146463-A1 Functional MRI agents for cancer imaging TSG101, SMARCE1, SMARCA1 TDP1 3140/4885L3MBTL1 3447/4885ALDH1A1 4125/4885

“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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