SCHEMBL920552

SCHEMBL920552

CCCCCCCOc1cc[c]c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
NR5A1 Q13285 1/20 0.46
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.41
SMPD1 P17405 3/20 0.41
LTA4H P09960 2/20 0.41
PLA2G4B P0C869 1/20 0.41
CNR2 P34972 2/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL920098 1.00 TSHR (0.49) TSHRNR5A1PLA2G2ATP53SMPD1
SCHEMBL9700131 1.00 TSHR (0.49) TSHRNR5A1PLA2G2ATP53SMPD1
SCHEMBL27287624 1.00 TSHR (0.49) TSHRNR5A1PLA2G2ATP53SMPD1
SCHEMBL920839 0.98 TSHR (0.46) TSHRNR5A1PLA2G2ATP53SMPD1
SCHEMBL920483 0.93 LTA4H (0.42) TSHRNR5A1LTA4HPDK2
SCHEMBL919955 0.88 KMT2A (0.40) TSHRLTA4HPDK2
SCHEMBL919990 0.87 SMN1; SMN2 (0.39) TSHRNR5A1
SCHEMBL919182 0.87 SMN1; SMN2 (0.39) TSHRNR5A1
SCHEMBL922005 0.87 SMN1; SMN2 (0.39) TSHRNR5A1
SCHEMBL920710 0.87 CYP1A2 (0.42) TSHRSMPD1

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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (2 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TSHR 2588/4885NR5A1 134/4885PLA2G2A 4773/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TSHR 2777/4885NR5A1 440/4885PLA2G2A 3781/4885

“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.