SCHEMBL7543571

SCHEMBL7543571

C1=NO1.Cc1ccc(C)c(OCC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA1A P35348 1/20 0.41
PPARG P37231 1/20 0.41
HTR2B P41595 1/20 0.41
PPARA Q07869 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CISD1 Q9NZ45 1/20 0.41

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
SCHEMBL8193683 0.92 TSHR (0.52) TSHRCYP2C9SMN1; SMN2USP2TTR
SCHEMBL7535615 0.90 SMN1; SMN2 (0.45) TSHRCYP2C9SMN1; SMN2MAPTUSP2
SCHEMBL7539666 0.88 ALDH1A1 (0.44) TSHRCYP2C9SMN1; SMN2MAPTUSP2
SCHEMBL8200026 0.82 TSHR (0.50) TSHRCYP2C9SMN1; SMN2USP2TTR
SCHEMBL7540542 0.81 CYP2C9 (0.41) TSHRCYP2C9SMN1; SMN2MAPTUSP2
SCHEMBL8197498 0.79 TSHR (0.46) TSHRCYP2C9SMN1; SMN2ALOX15TTR
SCHEMBL7537858 0.79 SCN4A (0.39) TSHRCYP2C9SMN1; SMN2MAPTUSP2
SCHEMBL13950676 0.74 HTT (0.52) TSHRCYP2C9SMN1; SMN2ALOX15TTR
SCHEMBL8369882 0.74 POLB (0.40) CYP2C9SMN1; SMN2CYP1A2LMNANPC1
SCHEMBL27294428 0.73 TSHR (0.41) TSHRCYP2C9SMN1; SMN2MAPTTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362212-B1 POTENT FUNGICIDAL ACTIVITY SHIONOGI & COMPANY, LTD. (JP) 2002-03-26 US disclosed
US-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient TAKASE AKIRA (JP) 2002-03-14 US disclosed
US-6268312-B1 FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-07-31 US disclosed
US-6048885-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 2000-04-11 US disclosed
EP-0754684-A1 OXIME DERIVATIVE AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1997-01-22 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-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient MSMO1, O60361, CBR1 TSHR 1672/4885CYP2C9 143/4885SMN1; SMN2 2104/4885

“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.