SCHEMBL15052201

SCHEMBL15052201

CC1(C)C=Cc2cc(CNC3CCCC3)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 13/20 0.53
EPAS1 Q99814 13/20 0.53
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 1/20 0.42
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL15052336 0.97 HIF1A (0.53) HIF1AEPAS1HRH3ALDH1A1HTR2A
SCHEMBL15052753 0.95 HIF1A (0.55) HIF1AEPAS1HTR2ACYP3A4CYP2D6
SCHEMBL15052429 0.80 HIF1A (0.53) HIF1AEPAS1HTR2A
SCHEMBL14930293 0.79 HIF1A (0.61) HIF1AEPAS1
SCHEMBL15052571 0.79 HIF1A (0.57) HIF1AEPAS1
SCHEMBL2564150 0.77 HIF1A (0.49) HIF1AEPAS1HTR2AHTT
SCHEMBL2564066 0.77 ALDH1A1 (0.38) HIF1AEPAS1HRH3ALDH1A1POLB
SCHEMBL9032911 0.74 HIF1A (0.54) HIF1AEPAS1
SCHEMBL5868243 0.74 HIF1A (0.54) HIF1AEPAS1ALDH1A1POLBCYP3A4
SCHEMBL2561679 0.74 HIF1A (0.68) HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381260-B2 Hypoxia inducible factor-1 pathway inhibitors and uses as anticancer and imaging agents EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20130164218-A1 HYPOXIA INDUCIBLE FACTOR-1 PATHWAY INHIBITORS AND USES AS ANTICANCER AND IMAGING AGENTS EMORY UNIVERSITY (US) 2013-06-27 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 (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-20130164218-A1 HYPOXIA INDUCIBLE FACTOR-1 PATHWAY INHIBITORS AND USES AS ANTICANCER AND IMAGING AGENTS HIF1A, HIF1AN, HYOU1 HIF1A 1/4885EPAS1 28/4885HRH3 3766/4885

“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.