SCHEMBL1650676

SCHEMBL1650676

CCC(O)C(CC)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.35

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
SCHEMBL10716607 0.86 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL6342696 0.84 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL6338975 0.84 LMNA (0.40) ALDH1A1TSHR
SCHEMBL11038404 0.82 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL4913990 0.81 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL1824329 0.81 CA2 (0.38) ALDH1A1TSHR
SCHEMBL1980677 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10454484 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2918544 0.80
SCHEMBL6381031 0.79 GPR84 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658459-B2 Compound and method of producing organic semiconductor device CANON KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
US-8021915-B2 Field effect transistor, method of producing the same, and method of producing laminated member CANON KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20110223714-A1 NOVEL COMPOUND AND METHOD OF PRODUCING ORGANIC SEMICONDUCTOR DEVICE CANON KABUSHIKI KAISHA (JP) 2011-09-15 US disclosed
US-7928221-B2 Irradiating porphyrins, azaporphyrins; improved crystal structure and orientation; field effect transistors CANON KABUSHIKI KAISHA (JP) 2011-04-19 US disclosed
US-7791069-B2 Field effect transistor and method of producing same CANON KABUSHIKI KAISHA (JP) 2010-09-07 US disclosed
US-20090263933-A1 FIELD EFFECT TRANSISTOR AND METHOD OF PRODUCING SAME CANON KABUSHIKI KAISHA (JP) 2009-10-22 US disclosed
US-7586117-B2 Field effect transistor and method of producing same CANON KABUSHIKI KAISHA (JP) 2009-09-08 US disclosed
US-20090124040-A1 FIELD EFFECT TRANSISTOR, METHOD OF PRODUCING THE SAME, AND METHOD OF PRODUCING LAMINATED MEMBER CANON KABUSHIKI KAISHA (JP) 2009-05-14 US disclosed
US-7491967-B2 Field effect transistor, method of producing the same, and method of producing laminated member CANON KABUSHIKI KAISHA (JP) 2009-02-17 US disclosed
US-20080277649-A1 Field Effect Transistor and Method of Producing Same CANON KABUSHIKI KAISHA (JP) 2008-11-13 US disclosed
US-20080171403-A1 NOVEL COMPOUND AND METHOD OF PRODUCING ORGANIC SEMICONDUCTOR DEVICE CANON KABUSHIKI KAISHA (JP) 2008-07-17 US disclosed
US-20070012914-A1 Field effect transistor, method of producing the same, and method of producing laminated member CANON KABUSHIKI KAISHA (JP) 2007-01-18 US disclosed
US-6969775-B2 Method of producing organic compounds in presence of oxyethylene ether catalyst and in a solvent minimized environment THE TEXAS A&M UNIVERSITY SYSTEM (US) 2005-11-29 US disclosed
WO-2005091394-A1 FIELD EFFECT TRANSISTOR AND METHOD OF PRODUCING SAME CANON KABUSHIKI KAISHA (JP) 2005-09-29 WO disclosed
WO-2005086254-A1 FIELD EFFECT TRANSISTOR, METHOD OF PRODUCING THE SAME, AND METHOD OF PRODUCING LAMINATED MEMBER CANON KABUSHIKI KAISHA (JP) 2005-09-15 WO disclosed
US-20040138509-A1 Method of producing organic compounds in presence of oxyethylene ether catalyst and in a solvent minimized environment THE TEXAS A&M UNIVERSITY SYSTEM 2004-07-15 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 (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-20040138509-A1 Method of producing organic compounds in presence of oxyethylene ether catalyst and in a solvent minimized environment CYP2E1, CYP3A43, CYP1A2 ALDH1A1 604/4885TSHR 3174/4885
US-20080171403-A1 NOVEL COMPOUND AND METHOD OF PRODUCING ORGANIC SEMICONDUCTOR DEVICE PPOX, FTO, AZI2 ALDH1A1 2208/4885TSHR 3459/4885

“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.