SCHEMBL19805311

SCHEMBL19805311

CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C)c(OC)c3)nc2)C1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.35
HRH3 Q9Y5N1 6/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.34
MMP13 P45452 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
HRH1 P35367 1/20 0.32
IL6 P05231 1/20 0.32

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
SCHEMBL19805306 0.83 HRH3 (0.39) DRD1HRH3POLBALDH1A1HPGD
SCHEMBL19670442 0.79 DRD1 (0.36) DRD1HRH3POLBALDH1A1HPGD
SCHEMBL19805334 0.79 DRD1 (0.36) DRD1HRH3POLBALDH1A1HPGD
SCHEMBL18610356 0.78 DRD1 (0.31) DRD1MCHR1
SCHEMBL1980315 0.78 DRD1 (0.37) DRD1HRH3ALDH1A1HSD11B1MMP13
SCHEMBL30939507 0.78 DRD1 (0.37) DRD1HRH3ALDH1A1HSD11B1MMP13
SCHEMBL19805335 0.78 HRH3 (0.32) HRH3ALDH1A1MMP13NPBWR1MCHR1
SCHEMBL21581654 0.77 GAA (0.32) POLBALDH1A1NPBWR1MCHR1KMT2A
SCHEMBL19805318 0.76 HRH3 (0.38) DRD1HRH3POLBALDH1A1HPGD
SCHEMBL1978153 0.75 AR (0.42) DRD1MMP13IL6NPBWR1MCHR1

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-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2018-01-25 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-20180021336-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 DRD1 201/4885HRH3 635/4885POLB 4014/4885

“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.