SCHEMBL12641997

SCHEMBL12641997

CC1OC(c2cccc(Br)c2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
RCOR1 Q9UKL0 1/20 0.39
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
HTR2B P41595 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HDAC4 P56524 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL12841087 0.78 SLC5A2 (0.39) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL8054098 0.78 KMT2A (0.44) ALDH1A1MAPK1HTR2AHTR2CHTR2B
SCHEMBL12508616 0.76 SLC6A2 (0.31)
SCHEMBL10258351 0.76 CYP3A4 (0.42) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL12812849 0.76
SCHEMBL12841088 0.75 MAPK1 (0.37) ALDH1A1MAPK1TSHRMAPT
SCHEMBL264648 0.75 KDM1A (0.47) KDM1AALDH1A1MAPK1RCOR1HTR2A
SCHEMBL5704436 0.74 CYP2A6 (0.38) KDM1AALDH1A1MAPK1RCOR1MEN1
SCHEMBL194639 0.73 KDM1A (0.50) KDM1AALDH1A1MAPK1RCOR1HTR2A
SCHEMBL13356510 0.73 MEN1 (0.48) HTR2BMEN1KMT2APOLBTSHR

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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA KDM1A 2852/4885ALDH1A1 2642/4885MAPK1 4039/4885

“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.