SCHEMBL22007381

SCHEMBL22007381

CCOCCOCc1ccc(CCOCCOCCc2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.53
AGXT P21549 2/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
ADRB2 P07550 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL24603048 0.93 KCNH2 (0.51) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL19543321 0.91 AGXT (0.50) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL7388809 0.89 KCNH2 (0.53) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL16151476 0.89 KCNH2 (0.62) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL28506052 0.86 KCNH2 (0.57) KCNH2AGXTHCAR2TDP1L3MBTL1
SCHEMBL19249035 0.85 AGXT (0.45) KCNH2AGXTCA1CA2CA9
SCHEMBL9008786 0.82 KCNH2 (0.59) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL12270447 0.82 AGXT (0.58) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL20325300 0.81 KCNH2 (0.56) KCNH2AGXTCYP1A2CYP2A6TAAR1
SCHEMBL21026178 0.81 KCNH2 (0.50) KCNH2AGXTCYP1A2CYP2A6TAAR1

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-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 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-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 KCNH2 4867/4885AGXT 3549/4885CYP1A2 4681/4885

“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.