SCHEMBL2422060

SCHEMBL2422060

COc1cc(C=O)c(N2CCCC2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.79
▸ MAPT P10636 8/20 0.79
▸ ALDH1A3 P47895 4/20 0.58
▸ KDM4E B2RXH2 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PRKDC P78527 2/20 0.49
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ TNNI3 P19429 2/20 0.48
▸ TNNT2 P45379 2/20 0.48
▸ TNNC1 P63316 2/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.48
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL2426964 0.83 ALDH1A1 (0.56) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL2419486 0.83 ALDH1A1 (0.56) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL5560563 0.81 ALDH1A1 (0.88) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL8381926 0.81 ALDH1A1 (0.87) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL2424543 0.81 ALDH1A1 (0.54) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL2427187 0.79 ALDH1A1 (0.52) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL5059626 0.78 ALDH1A1 (0.61) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL2462817 0.77 ALDH1A1 (0.50) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL17871817 0.77 ALDH1A1 (0.56) ALDH1A1MAPTALDH1A3KDM4ETDP1
SCHEMBL28034017 0.77 ALDH1A1 (0.56) ALDH1A1MAPTALDH1A3SMN1; SMN2POLB

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 3102/4885ALDH1A3 1557/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ALDH1A1 683/4885MAPT 3277/4885ALDH1A3 1829/4885

“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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