SCHEMBL10106994

SCHEMBL10106994

CCCCONCCCCCCCCNOCCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
THRB P10828 1/20 0.35
ACHE P22303 2/20 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
SCHEMBL10520996 0.97 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL10820853 0.97 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL5187696 0.95 TSHR (0.46) EPHX1TSHRALDH1A1PPARAADRB2
SCHEMBL6027841 0.92 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL28554627 0.92 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL18679474 0.92 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL466284 0.92 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL10705860 0.92 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL16143788 0.92 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B
SCHEMBL8014495 0.92 EPHX1 (0.46) EPHX1TSHRALDH1A1PPARAADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 EPHX1 4284/4885TSHR 571/4885ALDH1A1 3904/4885

“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.