SCHEMBL12316640

SCHEMBL12316640

Clc1cc2c(cc1OC1CCCC1)OCC=C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.40
SCN9A Q15858 1/20 0.34
PPOX P50336 1/20 0.33
STS P08842 1/20 0.33
HPGD P15428 1/20 0.33
KMO O15229 5/20 0.32
PDE4A P27815 1/20 0.31
RORC P51449 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
SCHEMBL12316783 0.83 PDE4A (0.33) STSPDE4A
SCHEMBL12316623 0.81 IKBKB (0.39) RORC
SCHEMBL12316628 0.74 KDM4E (0.36) CSNK2A1PPOXSTSHPGDKMO
SCHEMBL12316660 0.70 CSNK2A1 (0.44) CSNK2A1SCN9APPOXHPGDKMO
SCHEMBL12316776 0.68 STS (0.40) STS
SCHEMBL5646459 0.68 STS (0.36) STS
SCHEMBL12316638 0.68 CSNK2A1 (0.43) CSNK2A1SCN9APPOXHPGDKMO
SCHEMBL12316643 0.68 MAP3K14 (0.49) CSNK2A1SCN9APPOXHPGDKMO
SCHEMBL12316536 0.68 HPGD (0.44) CSNK2A1SCN9APPOXHPGDKMO
SCHEMBL17186171 0.66 STS (0.41) STSHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 CSNK2A1 4629/4885SCN9A 509/4885PPOX 4338/4885

“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.