SCHEMBL15445389

SCHEMBL15445389

COC(=O)C(O)C1=C(c2ccc3c(c2)CCCO3)C(C)(C)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
NOTUM Q6P988 1/20 0.37
CTNNB1 P35222 6/20 0.35
WNT3A P56704 6/20 0.35
P2RX3 P56373 1/20 0.35
RIPK1 Q13546 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ERN1 O75460 2/20 0.34
CLK1 P49759 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL13465406 0.90 TAS1R3 (0.41) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL15445388 0.86 TAS1R3 (0.37) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL13465458 0.81 PSIP1 (0.36) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL13278222 0.74 FABP4 (0.40) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL13465402 0.74 NOTUM (0.42) NOTUMCTNNB1WNT3ARIPK1RAB9A
SCHEMBL12987391 0.73 NPC1 (0.40) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL13193611 0.71 NOTUM (0.38) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL15996976 0.71 CREBBP (0.39) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL13193678 0.71 NOTUM (0.38) TAS1R3TAS1R1NOTUMCTNNB1WNT3A
SCHEMBL15634948 0.70 P2RX3 (0.37) TAS1R3TAS1R1NOTUMCTNNB1WNT3A

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-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

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 TAS1R3 4803/4885TAS1R1 4780/4885NOTUM 2638/4885

“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.