SCHEMBL2428620

SCHEMBL2428620

COc1ccc(OCCN2CCOCC2)c(C=O)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SYK P43405 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTPN1 P18031 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL11367106 0.94 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2NPSR1KDM4E
SCHEMBL11297482 0.91 PTPN1 (0.53) ALDH1A1SYKTSHRSMN1; SMN2NPSR1
SCHEMBL1578671 0.87 LTA4H (0.56) SMN1; SMN2PTPN1ACHEHTR2CHTR2B
SCHEMBL11378620 0.85 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2NPSR1HTR2B
SCHEMBL13791083 0.84 SYK (0.59) ALDH1A1SYKTSHRSMN1; SMN2NPSR1
SCHEMBL15474582 0.84 ALDH1A1 (0.54) ALDH1A1SYKTSHRSMN1; SMN2NPSR1
SCHEMBL5141412 0.82 TSHR (0.67) ALDH1A1TSHRNPSR1ACHEKDM4E
SCHEMBL15754950 0.81 SMN1; SMN2 (0.54) ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL4048998 0.81 ALDH1A1 (0.65) ALDH1A1SYKTSHRSMN1; SMN2NPSR1
SCHEMBL4056455 0.81 ALDH1A1 (0.59) ALDH1A1SYKTSHRSMN1; SMN2NPSR1

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-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 WO disclosed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US disclosed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US disclosed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US disclosed
WO-2006105795-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 WO disclosed
EP-1696906-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005058309-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2005-06-30 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 (3 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 ALDH1A1 498/4885SYK 271/4885TSHR 4253/4885
US-20070167488-A1 Novel therapeutic use MAG, PMP22, MYT1 ALDH1A1 2943/4885SYK 3234/4885TSHR 1181/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ALDH1A1 683/4885SYK 317/4885TSHR 4392/4885

“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.