SCHEMBL13170487

SCHEMBL13170487

COC(=S)/C=C/c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CMA1 P23946 2/20 0.50
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CYP2C9 P11712 2/20 0.48
TNKS O95271 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL8036556 1.00 ALDH1A1 (0.51) ALDH1A1CMA1GLATDP1MAPT
SCHEMBL31326778 0.76 GLA (0.61) ALDH1A1GLATDP1MAPTGAA
SCHEMBL13177035 0.75 ALDH1A1 (0.51) ALDH1A1CMA1GLATDP1MAPT
SCHEMBL10470695 0.75 TDP1 (0.50) ALDH1A1CMA1GLATDP1MAPT
SCHEMBL8250740 0.75 ALDH1A1 (0.51) ALDH1A1CMA1GLATDP1MAPT
E-Methyl Cinnamate SCHEMBL101530 0.75 CA12 (0.69) ALDH1A1CMA1GLATDP1MAPT
E-Methyl Cinnamate SCHEMBL1862419 0.75 CA12 (0.69) ALDH1A1CMA1GLATDP1MAPT
SCHEMBL10470696 0.75 TDP1 (0.50) ALDH1A1CMA1GLATDP1MAPT
E-Methyl Cinnamate SCHEMBL901224 0.75 CA12 (0.69) ALDH1A1CMA1GLATDP1MAPT
E-Methyl Cinnamate SCHEMBL2425288 0.75 CA12 (0.69) ALDH1A1CMA1GLATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234605-A1 METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS IM&T RESEARCH, INC. (US) 2010-09-16 US disclosed
US-20100234605-A1 METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS IM&T RESEARCH, INC. (US) 2010-09-16 US disclosed
WO-2009076345-A1 METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS IM & T RESEARCH, INC. (US) 2009-06-18 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-20100234605-A1 METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS FDPS, PFAS, FBL ALDH1A1 2855/4885CMA1 1973/4885GLA 1798/4885

“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.