SCHEMBL10120069

SCHEMBL10120069

CC(C)CNCc1cc(F)c2c(c1)OCCCO2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
PROKR2 Q8NFJ6 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAP4K4 O95819 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BDKRB1 P46663 1/20 0.31

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
SCHEMBL10106587 0.85 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRPROKR2MEN1
SCHEMBL565394 0.85 PROKR2 (0.44) ALDH1A1KDM4ETSHRPROKR2MEN1
SCHEMBL3518641 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL13039056 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL564098 0.74 PROKR2 (0.57) ALDH1A1KDM4ETSHRPROKR2MEN1
SCHEMBL13039536 0.73 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL13284402 0.72 PROKR2 (0.46) ALDH1A1KDM4ETSHRPROKR2
SCHEMBL3518923 0.71 KDM4E (0.46) ALDH1A1KDM4ETSHR
SCHEMBL3516500 0.71 KDM4E (0.46) ALDH1A1KDM4ETSHR
SCHEMBL13039464 0.69 MTNR1A (0.51) PROKR2

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-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 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-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof PROKR2, PROKR1, GIPR ALDH1A1 4725/4885KDM4E 4874/4885TSHR 291/4885

“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.