SCHEMBL2426964

SCHEMBL2426964

COc1cc(C=O)c(N2CCN(C(C)C)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPT P10636 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PRKDC P78527 2/20 0.42
▸ ALDH1A3 P47895 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDE4D Q08499 1/20 0.37
▸ CCR4 P51679 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL2422060 0.83 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL8381926 0.78 ALDH1A1 (0.87) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2426246 0.77 PTPN1 (0.50) ALDH1A1MAPTMEN1KMT2AMCOLN3
SCHEMBL2426242 0.77 PTPN1 (0.50) ALDH1A1MAPTMEN1KMT2AMCOLN3
SCHEMBL2419486 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL4737854 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETSHRALDH1A3
SCHEMBL2424543 0.74 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2427187 0.73 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2206891 0.73 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHRH3POLB
SCHEMBL2429768 0.72 MC4R (0.54) ALDH1A1MAPTKDM4ETDP1HRH3

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 10 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

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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 ALDH1A1 498/4885MAPT 3102/4885KDM4E 477/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ALDH1A1 683/4885MAPT 3277/4885KDM4E 478/4885

“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.

Send feedback