SCHEMBL5586092

SCHEMBL5586092

CCCCCCCS[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
THRB P10828 2/20 0.42
CES2 O00748 6/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 0.38
CES1 P23141 7/20 0.36
FAAH O00519 4/20 0.36
PLA2G6 O60733 1/20 0.36
DNM1 Q05193 2/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL2018319 1.00
SCHEMBL7611194 1.00 TSHR (0.42) TSHRTHRBCES2CTSLCTSB
SCHEMBL7613233 1.00 TSHR (0.42) TSHRTHRBCES2CTSLCTSB
SCHEMBL5481202 1.00 TSHR (0.42) TSHRTHRBCES2CTSLCTSB
SCHEMBL2025361 0.97
SCHEMBL6706888 0.87 FAAH (0.52) GMNNTP53POLBMAPTCYP2C9
SCHEMBL2018589 0.77
SCHEMBL3265077 0.75 TSHR (0.41) TSHRTHRBCES2CTSLCTSB
SCHEMBL3507116 0.74
SCHEMBL9451397 0.74 TSHR (0.42) TSHRTHRBCES2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294369-B2 Polymerisable cinnamates with lateral substitution MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-11-13 US disclosed
EP-1524308-B1 Polymerisable Cinnamates with lateral substitution MERCK PATENT GMBH (DE) 2006-07-26 EP disclosed
US-20050227021-A1 Polymerisable cinnamates with lateral substitution MERCK PATENT GMBH (DE) 2005-10-13 US disclosed
EP-1524308-A1 Polymerisable Cinnamates with lateral substitution MERCK PATENT GmbH (DE) 2005-04-20 EP 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-20050227021-A1 Polymerisable cinnamates with lateral substitution VIM, TYR, LAGE3 TSHR 2027/4885THRB 2737/4885CES2 240/4885

“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.