SCHEMBL5376754

SCHEMBL5376754

C=CCSCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 3/20 0.43
THRB P10828 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.40
FAAH O00519 5/20 0.38
CES1 P23141 4/20 0.38
PLA2G6 O60733 1/20 0.38
PRKD3 O94806 2/20 0.35
PRKCG P05129 2/20 0.35
PRKCB P05771 2/20 0.35

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
SCHEMBL3393906 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL11331243 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL10793592 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL12231752 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL11519491 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL23034161 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL3396900 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL8946843 1.00 TSHR (0.48) TSHRALOX5SMN1; SMN2CES2THRB
SCHEMBL1977937 0.98
SCHEMBL293786 0.98

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304184-B2 Process for producing allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-04 US disclosed
US-20040171885-A1 Process for producing allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-02 US disclosed
EP-1452516-A2 Process for producing allyl-containing compounds Daicel Chemical Industries, Ltd. (JP) 2004-09-01 EP disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
EP-0021637-A1 Amidothiol derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-01-07 EP disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 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-20040171885-A1 Process for producing allyl-containing compounds SRD5A2, RPS4Y1, SULT1E1 TSHR 2424/4885ALOX5 143/4885SMN1; SMN2 3746/4885

“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.