SCHEMBL30725533

SCHEMBL30725533

COc1cc2ccccc2cc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
SLC2A1 P11166 1/20 0.49
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TTR P02766 1/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL8406889 1.00 NQO1 (0.50) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL23515251 0.89 SLC2A1 (0.44) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL3593457 0.83 NQO1 (0.54) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL17913151 0.82 ALDH1A1 (0.46) SLC2A1ALDH1A1HPGDKDM4ETTR
SCHEMBL9477688 0.82 SLC2A1 (0.54) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL3372657 0.80 TAAR1 (0.47) MAPT
SCHEMBL15345380 0.80 NQO1 (0.50) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL4439625 0.80 ALDH1A1 (0.50) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL30975091 0.80 PDE4A (0.64) NQO1SLC2A1ALDH1A1HPGDKDM4E
SCHEMBL30975093 0.80 PDE4A (0.64) NQO1SLC2A1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250229198-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I (CZ) 2025-07-17 US disclosed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN 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-20250229198-A1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF SCO2, SOD3, SLC39A3 NQO1 168/4885SLC2A1 2635/4885ALDH1A1 4085/4885

“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.