SCHEMBL2462817

SCHEMBL2462817

COc1cc(C=O)c(N2CCC(O)C2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMPD3 Q9NY59 2/20 0.43
▸ PRKDC P78527 2/20 0.41
▸ MCHR1 Q99705 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.36
▸ NTSR1 P30989 3/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 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
SCHEMBL2419486 0.92 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2425261 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2421557 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2426279 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2427187 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2427638 0.78 PIM1 (0.50) —
SCHEMBL2427642 0.78 PIM1 (0.50) —
SCHEMBL2424543 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2422060 0.77 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL15718717 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ETSHRTDP1

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.

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