SCHEMBL11969486

SCHEMBL11969486

CC(C)Oc1ccc(C(O)CN2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.45
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
DHCR7 Q9UBM7 1/20 0.42
TACR1 P25103 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KMT2A Q03164 2/20 0.41
IGF1R P08069 1/20 0.40
SLC18A3 Q16572 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL11968945 0.88 IGF1R (0.53) HRH3ALDH1A1KMT2AIGF1RMEN1
SCHEMBL1460382 0.85 DRD2 (0.53) HRH3ALDH1A1KMT2AMEN1
SCHEMBL1460371 0.83 HRH3 (0.53) HRH3ALDH1A1SIGMAR1KMT2AIGF1R
SCHEMBL1462399 0.81 KDM4E (0.57) ALDH1A1TP53HTTSIGMAR1KMT2A
SCHEMBL1461382 0.81 GMNN (0.55) HRH3ALDH1A1TP53KMT2ASLC18A3
SCHEMBL1460271 0.80 MEN1 (0.59) ALDH1A1KMT2ASLC18A3MEN1
SCHEMBL1460278 0.79 MEN1 (0.61) KMT2ASLC18A3MEN1
SCHEMBL1460466 0.78 GRIN1 (0.45) HRH3KMT2ASLC18A3MEN1
SCHEMBL1461553 0.78 TACR1 (0.47) HRH3ALDH1A1TACR1KMT2AIGF1R
SCHEMBL11968885 0.77 ALDH1A1 (0.59) HRH3ALDH1A1TP53MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 HRH3 270/4885ALDH1A1 796/4885TP53 4537/4885

“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.