SCHEMBL2564066

SCHEMBL2564066

CC1(C)C=Cc2cc(CNC3CCCCC3)cnc2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.37
KCNH2 Q12809 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34
PABPC1 P11940 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR4 P61073 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
SCHEMBL14930303 0.79 HIF1A (0.42) HIF1AEPAS1
SCHEMBL15052201 0.77 HIF1A (0.53) ALDH1A1HIF1AEPAS1HRH3POLB
SCHEMBL2564150 0.76 HIF1A (0.49) KDM4EHIF1AEPAS1KCNH2USP2
SCHEMBL15052336 0.74 HIF1A (0.53) ALDH1A1HIF1AEPAS1HRH3CYP2D6
SCHEMBL15052753 0.71 HIF1A (0.55) HIF1AEPAS1CYP2D6
SCHEMBL2562807 0.70 KDM4E (0.34) ALDH1A1KDM4EHIF1AEPAS1HRH3
SCHEMBL8117447 0.66 HIF1A (0.36) ALDH1A1KDM4EHIF1AEPAS1POLB
SCHEMBL26944372 0.64 HRH3 (0.57) ALDH1A1KDM4EHRH3TSHRKCNH2
SCHEMBL30814161 0.61 HIF1A (0.48) HIF1AEPAS1KCNH2
SCHEMBL2584901 0.61 POLB (0.58) ALDH1A1KDM4EHRH3PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062072-B2 Inhibitors of HIF and angiogenesis EMORY UNIVERSITY (US) 2015-06-23 US disclosed
US-20130116275-A1 INHIBITORS OF HIF AND ANGIOGENESIS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-09 US disclosed
WO-2011133659-A2 INHIBITORS OF HIF AND ANGIOGENESIS EMORY UNIVERSITY (US) 2011-10-27 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 (1 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-20130116275-A1 INHIBITORS OF HIF AND ANGIOGENESIS HIF1AN, HIF1A, EGLN2 ALDH1A1 324/4885KDM4E 2317/4885HIF1A 2/4885

“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.