SCHEMBL3468628

SCHEMBL3468628

[CH2]CCc1nc(CCCCCCCCCCCOC(=O)C=C)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.37
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL3468678 0.84 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572588 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572572 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572600 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572597 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572676 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572629 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572593 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572626 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22572670 0.70 TSHR (0.83) TSHRALDH1A1CYP3A4HPGDTP53

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 TSHR 3664/4885ALDH1A1 1831/4885CYP3A4 1441/4885

“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.