SCHEMBL3468872

SCHEMBL3468872

OCCCCCCCCCCCc1ncc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.64
TERT O14746 1/20 0.50
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 8/20 0.40
FDPS P14324 1/20 0.40
HTR1A P08908 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL28517717 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL4684337 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL27191622 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL5611002 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL1092797 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28619801 1.00 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL8542 0.98 TBXAS1 (0.61) TBXAS1TERTALOX15TAAR1FDPS
Hydrochloric Acid SCHEMBL10816272 0.96 TBXAS1 (0.62) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9315 0.92
SCHEMBL28062565 0.89 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048755-A1 POROUS POLYMERIC MATERIAL WITH CROSS-LINKABLE WETTING AGENT AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-02-25 US disclosed
EP-2087020-A1 POROUS POLYMERIC MATERIAL WITH CROSS-LINKABLE WETTING AGENT Agency for Science, Technology and Research (SG) 2009-08-12 EP disclosed
WO-2008060249-A9 POROUS POLYMERIC MATERIAL WITH CROSS-LINKABLE WETTING AGENT AGENCY SCIENCE TECH & RES (SG) 2008-11-20 WO disclosed
WO-2008060249-A1 POROUS POLYMERIC MATERIAL WITH CROSS-LINKABLE WETTING AGENT AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-05-22 WO disclosed
US-7074867-B2 From a sulfonate compound containing unsaturated ester group; membrane AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-07-11 US disclosed
US-20040171781-A1 Ion conducting polymers AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2004-09-02 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-20040171781-A1 Ion conducting polymers CACNA1E, VDAC1, HVCN1 TBXAS1 2604/4885TERT 865/4885ALOX15 1135/4885

“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.