SCHEMBL13465458

SCHEMBL13465458

CC(C)(C)OC(C(=O)O)C1=C(c2ccc3c(c2)CCCO3)C(C)(C)CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.36
CTNNB1 P35222 3/20 0.36
WNT3A P56704 3/20 0.36
NOTUM Q6P988 1/20 0.35
CYP3A4 P08684 1/20 0.34
FFAR1 O14842 1/20 0.34
FABP4 P15090 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
NR1I2 O75469 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G10 O15496 1/20 0.32
STING1 Q86WV6 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL15445388 0.91 TAS1R3 (0.37) CTNNB1WNT3ANOTUMFFAR1GPR119
SCHEMBL15441320 0.84 PSIP1 (0.41) PSIP1CTNNB1WNT3ANOTUMCYP3A4
SCHEMBL13465406 0.81 TAS1R3 (0.41) CTNNB1WNT3ANOTUMFFAR1FABP4
SCHEMBL15445389 0.81 TAS1R3 (0.39) CTNNB1WNT3ANOTUMFFAR1NPC1
SCHEMBL13278481 0.81 CYP2B6 (0.33) PSIP1
SCHEMBL15445361 0.77 CTNNB1 (0.39) PSIP1CTNNB1WNT3ANOTUMCYP3A4
SCHEMBL13269540 0.77 CYP3A4 (0.43) PSIP1CTNNB1WNT3ANOTUMCYP3A4
SCHEMBL13269068 0.77 CYP3A4 (0.39) PSIP1CTNNB1WNT3ANOTUMCYP3A4
SCHEMBL15441306 0.76 FABP4 (0.39) PSIP1CTNNB1WNT3ACYP3A4FABP4
SCHEMBL16346352 0.76 PSIP1 (0.41) PSIP1CTNNB1WNT3ANOTUMCYP3A4

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 PSIP1 819/4885CTNNB1 3907/4885WNT3A 3567/4885

“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.