SCHEMBL18878219

SCHEMBL18878219

C=CC(=C)OCCC(C)(C)SSC(C)(C)CCOC(=O)C=C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL10099798 0.92 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13923762 0.78 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17717899 0.78 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22829532 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2741578 0.75 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8966168 0.75 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1015244 0.75 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12776767 0.75 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22838379 0.74 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18051631 0.73 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A

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-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-25 US disclosed
US-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-25 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-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS HNRNPL, HNRNPLL, ACSL3 TSHR 1764/4885HPGD 2480/4885ALDH1A1 883/4885

“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.