SCHEMBL13465402

SCHEMBL13465402

CC1(C)CCCC(C=O)=C1c1ccc2c(c1)CCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ERN1 O75460 4/20 0.41
DYRK1A Q13627 4/20 0.38
DYRK1B Q9Y463 2/20 0.38
CLK1 P49759 1/20 0.38
RIPK1 Q13546 1/20 0.37
CTNNB1 P35222 6/20 0.35
WNT3A P56704 6/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
DYRK3 O43781 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
DYRK2 Q92630 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13278572 0.79
SCHEMBL13278296 0.76 CYP2B6 (0.39)
SCHEMBL13465406 0.74 TAS1R3 (0.41) NOTUMERN1CLK1RIPK1CTNNB1
SCHEMBL15445389 0.74 TAS1R3 (0.39) NOTUMERN1CLK1RIPK1CTNNB1
SCHEMBL13465458 0.72 PSIP1 (0.36) NOTUMCTNNB1WNT3ARAB9ASMN1; SMN2
SCHEMBL1700400 0.72 PTGS2 (0.33) ERN1MAPTSMN1; SMN2
SCHEMBL15445388 0.71 TAS1R3 (0.37) NOTUMERN1CLK1RIPK1CTNNB1
SCHEMBL13278317 0.68 NOTUM (0.44) NOTUMERN1DYRK1ADYRK1BCLK1
SCHEMBL3328614 0.68 DYRK1A (0.61) NOTUMERN1DYRK1ADYRK1BCLK1
SCHEMBL29957044 0.68 DYRK1A (0.61) NOTUMERN1DYRK1ADYRK1BCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604900-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2017-03-28 US disclosed
US-9604900-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2017-03-28 US disclosed
US-20140031338-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-01-30 US disclosed
US-20140031338-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-01-30 US disclosed
WO-2012140243-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-18 WO 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-20140031338-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES POLRMT, MAVS, EIF2AK2 NOTUM 2638/4885ERN1 199/4885DYRK1A 3674/4885

“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.