SCHEMBL17035965

SCHEMBL17035965

[2H]c1cnc2ccc(C(CCO)c3ccccc3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4D Q08499 3/20 0.38
PDE4C Q08493 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
MET P08581 5/20 0.36
NR3C1 P04150 1/20 0.36
EPHX2 P34913 1/20 0.35
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKCG P05129 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK1 P28482 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34

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
SCHEMBL17953926 0.88 PDE4D (0.48) LMNAALDH1A1SMN1; SMN2PDE4DPDE4C
SCHEMBL17035966 0.86 HRH1 (0.49) LMNAALDH1A1SMN1; SMN2PDE4DPDE4C
SCHEMBL17035971 0.80 MET (0.43) LMNAALDH1A1SMN1; SMN2METNR3C1
SCHEMBL17035969 0.79 LMNA (0.39) LMNAALDH1A1SMN1; SMN2PDE4DPDE4C
SCHEMBL17035968 0.78 PDE4A (0.38) LMNAALDH1A1SMN1; SMN2PDE4DPDE4C
SCHEMBL17035964 0.77 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2PDE4DMET
SCHEMBL17035974 0.70 LMNA (0.37) LMNAALDH1A1SMN1; SMN2PDE4DPDE4C
SCHEMBL128570 0.70 HRH1 (0.56) LMNAALDH1A1SMN1; SMN2EPHX2SLC6A2
SCHEMBL16132919 0.69 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2MAPK1SLC6A2
SCHEMBL1951478 0.69 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2PDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-20160213677-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-07-28 US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 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-20150239883-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 LMNA 671/4885ALDH1A1 1761/4885SMN1; SMN2 2305/4885
US-20160213677-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 LMNA 671/4885ALDH1A1 1761/4885SMN1; SMN2 2305/4885

“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.