SCHEMBL17974512

SCHEMBL17974512

CCCCOCCOCCOCCCNC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
TSHR P16473 5/20 0.48
CYP3A4 P08684 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR1B P28222 1/20 0.39
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL13668221 1.00 EPHX1 (0.52) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL681375 0.97 EPHX1 (0.55) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL22856487 0.95 EPHX1 (0.52) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL13997666 0.93 EPHX1 (0.56) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL2599824 0.90 EPHX1 (0.59) EPHX1TSHRMAPTMEN1THRB
SCHEMBL23267022 0.90 EPHX1 (0.46) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL20231880 0.90 TSHR (0.48) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL23267823 0.90 EPHX1 (0.46) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL14448265 0.90 TSHR (0.48) EPHX1TSHRCYP3A4MAPTMEN1
SCHEMBL20231881 0.90 TSHR (0.48) EPHX1TSHRCYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-08-04 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-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF MSR1, CD74, CD4 EPHX1 2264/4885TSHR 1795/4885CYP3A4 4825/4885

“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.