SCHEMBL7540548

SCHEMBL7540548

Cc1ccc(C)c(OCc2ccccc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.59
HTT P42858 2/20 0.57
TP53 P04637 1/20 0.57
FOLH1 Q04609 2/20 0.54
TSHR P16473 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C8 P10632 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA1A P35348 1/20 0.47
PPARG P37231 1/20 0.47
HTR2B P41595 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL16273717 0.89 MRGPRX4 (0.61) MRGPRX4HTTTP53FOLH1TSHR
SCHEMBL7537186 0.87 PTGDR2 (0.50) MRGPRX4HTTTP53TSHRMEN1
SCHEMBL31568524 0.86 MRGPRX4 (0.76) MRGPRX4HTTTP53FOLH1ALDH1A1
SCHEMBL17616605 0.86 MRGPRX4 (0.76) MRGPRX4HTTTP53FOLH1ALDH1A1
SCHEMBL28816972 0.86 HTT (0.53) MRGPRX4HTTTSHRMEN1KMT2A
SCHEMBL15012255 0.85 PTGDR2 (0.49) MRGPRX4HTTTP53TSHRMEN1
SCHEMBL28832475 0.85 ALDH1A1 (0.46) MRGPRX4HTTTSHRMEN1KMT2A
SCHEMBL17616626 0.85 TP53 (0.60) MRGPRX4HTTTP53FOLH1PTGDR2
SCHEMBL5291219 0.85 HTT (0.68) MRGPRX4HTTTP53FOLH1PTGDR2
SCHEMBL28001736 0.85 ALDH1A1 (0.50) MRGPRX4HTTTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1094487-C Oxime derivative and fungicide containing the same as active ingredient SHIONOGI & CO (JP) 2002-11-20 CN disclosed
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-0547825-B1 Process for producing alpha-ketoamide derivative SHIONOGI & CO (JP) 1997-09-03 EP disclosed
EP-0754684-A1 OXIME DERIVATIVE AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed
US-5414122-A Process for producing alpha-ketoamide derivative SHIONOGI & CO., LTD. (JP) 1995-05-09 US disclosed
US-5258551-A Amidation of benzoyl halide derivative with organic isocyanide; fungicide intermediates SHIONOGI & CO., LTD. (JP) 1993-11-02 US disclosed
EP-0547825-A2 Process for producing alpha-ketoamide derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-23 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 MRGPRX4 3876/4885HTT 3373/4885TP53 4649/4885

“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.