SCHEMBL3457580

SCHEMBL3457580

c1cc(SSc2ccc(OC3CCCC3)cc2)ccc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
EPHX2 P34913 3/20 0.41
HPGD P15428 1/20 0.41
FURIN P09958 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HRH1 P35367 1/20 0.39
FFAR1 O14842 1/20 0.39
ALOX12 P18054 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL943014 0.98 PARP10 (0.46) PARP10ALDH1A1TSHRSMN1; SMN2EPHX2
SCHEMBL18058688 0.85 SMN1; SMN2 (0.54) PARP10ALDH1A1TSHRSMN1; SMN2EPHX2
SCHEMBL2242868 0.84 PARP10 (0.55) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL20443245 0.80 MAOB (0.47) PARP10ALDH1A1TSHRSMN1; SMN2EPHX2
SCHEMBL16195543 0.80 SMN1; SMN2 (0.67) PARP10ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL8438185 0.78 PARP10 (0.47) PARP10ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL28410040 0.77 SMN1; SMN2 (0.59) PARP10ALDH1A1TSHRSMN1; SMN2EPHX2
SCHEMBL747626 0.77 PARP10 (0.55) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL9304772 0.76 SLC6A4 (0.58) PARP10ALDH1A1TSHRSMN1; SMN2EPHX2
SCHEMBL1837838 0.76 PARP10 (0.53) PARP10ALDH1A1TSHRSMN1; SMN2EPHX2

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-20110306798-A1 Methods for Producing Arylsulfur Pentafluorides UBE INDUSTRIES, LTD. (JP) 2011-12-15 US disclosed
WO-2010014665-A1 METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2010-02-04 WO 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-20110306798-A1 Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, HDHD5 PARP10 4496/4885ALDH1A1 992/4885TSHR 93/4885

“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.