SCHEMBL21101398

SCHEMBL21101398

COc1ccc(C2CC2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.62
QDPR P09417 1/20 0.45
PDE4A P27815 5/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NR3C1 P04150 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TUBB1 Q9H4B7 3/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 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
SCHEMBL12716503 0.93 KDM1A (0.55) KDM1AQDPRPDE4APDE4BPDE4C
SCHEMBL15180853 0.89 KDM1A (0.51) KDM1AQDPRPDE4APDE4BPDE4C
SCHEMBL31063362 0.88 KDM1A (0.54) KDM1AQDPRPDE4APDE4BPDE4C
SCHEMBL22279844 0.88 HTR2C (0.54) KDM1AQDPRPDE4BSLC6A2SLC6A4
SCHEMBL10302897 0.87 KDM1A (0.50) KDM1AQDPRPDE4APDE4BPDE4C
SCHEMBL28769188 0.87 KDM1A (0.50) KDM1AQDPRPDE4APDE4BPDE4C
SCHEMBL28769187 0.87 KDM1A (0.50) KDM1AQDPRPDE4APDE4BPDE4C
SCHEMBL23605276 0.87 QDPR (0.64) KDM1AQDPRPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL4892688 0.87 HTR2C (0.55) KDM1AQDPRPDE4BSLC6A2SLC6A4
SCHEMBL16892013 0.85 KDM1A (0.51) KDM1AQDPRPDE4APDE4BPDE4C

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-10330673-B2 Fluorescent chemical sensor for biological amines THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-06-25 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-10330673-B2 Fluorescent chemical sensor for biological amines ADRB3, SLC18A1, AOC3 KDM1A 2401/4885QDPR 1815/4885PDE4A 94/4885

“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.