SCHEMBL18073196

SCHEMBL18073196

C=CSCCOCC(C)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL18073195 0.86 TDP1 (0.54) HSD17B10TDP1
SCHEMBL18073194 0.77 TDP1 (0.36) TDP1
SCHEMBL1866163 0.76 HSD17B10 (0.58) HSD17B10TDP1MAPK1FYNMAOA
SCHEMBL12852178 0.73 ALDH1A1 (0.33) HSD17B10
SCHEMBL32669042 0.72
SCHEMBL6555797 0.72 HSD17B10 (0.74) HSD17B10TDP1MAPK1FYNMAOA
SCHEMBL4309346 0.72
SCHEMBL13943216 0.71 HSD17B10 (0.52) HSD17B10TDP1MAPK1FYNMAOA
Propene SCHEMBL4596784 0.71 HSD17B10 (0.50) HSD17B10TDP1MAPK1FYNMAOA
SCHEMBL170070 0.70 HSD17B10 (0.70) HSD17B10TDP1MAPK1FYNMAOA

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-20160264691-A1 ALKOXYLATES OF S-VINYLTHIOALKANOLS BASF SE (DE) 2016-09-15 US disclosed
US-20160264691-A1 ALKOXYLATES OF S-VINYLTHIOALKANOLS BASF SE (DE) 2016-09-15 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-20160264691-A1 ALKOXYLATES OF S-VINYLTHIOALKANOLS C9, C1S, C1R HSD17B10 1592/4885TDP1 3361/4885MAPK1 1535/4885

“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.