SCHEMBL2746875

SCHEMBL2746875

CC(C)(C)B1Oc2cc3ccccc3cc2O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.34
CYP1A2 P05177 3/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NQO1 P15559 1/20 0.30
PDPK1 O15530 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL734304 0.81 ABCG2 (0.32)
SCHEMBL14028769 0.75 CYP2A6 (0.38) CYP2A6CYP1A2POLBCASP6TDP1
SCHEMBL11408529 0.71 ALDH1A1 (0.38) CYP1A2TDP1MAPT
SCHEMBL3077123 0.70 CYP1A2 (0.39) CYP2A6CYP1A2POLBCASP6TDP1
SCHEMBL12230516 0.68 POLB (0.36) CYP2A6CYP1A2POLBCASP6TDP1
SCHEMBL406194 0.65 POLB (0.47) CYP2A6CYP1A2POLBCASP6TDP1
SCHEMBL903605 0.65 AHR (0.46) CYP2A6CYP1A2POLBCASP6TDP1
SCHEMBL16779994 0.65 AHR (0.46) CYP2A6CYP1A2POLBCASP6TDP1
Anthracene SCHEMBL6313219 0.64 CYP2A6 (0.50) CYP2A6CYP1A2TDP1MAPTNQO1
SCHEMBL22331573 0.63

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-20120004404-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2012-01-05 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-20120004404-A1 RADIOLABELLING METHODS ARFGEF1, TMEM14C, PIGO CYP2A6 1489/4885CYP1A2 956/4885POLB 1750/4885

“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.