SCHEMBL2978593

SCHEMBL2978593

COC(=O)Cc1cc(O)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.55
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GLA P06280 2/20 0.51
HSP90AB1 P08238 1/20 0.49
ANO1 Q5XXA6 1/20 0.43
CAMK2A Q9UQM7 2/20 0.43
GFER P55789 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
CKS1B P61024 1/20 0.40
SKP2 Q13309 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
SCHEMBL4711040 0.86 ALDH1A1 (0.51) EGFRALDH1A1GAAKDM4EGLA
SCHEMBL30581858 0.86 ALDH1A1 (0.51) EGFRALDH1A1GAAKDM4EGLA
SCHEMBL7133160 0.84 MAPT (0.49) ALDH1A1GAAKDM4EHSP90AB1CYP1A2
SCHEMBL8138023 0.84 EGFR (0.59) EGFRALDH1A1GAAKDM4EGLA
SCHEMBL136459 0.83 EGFR (0.56) EGFRALDH1A1GAAKDM4ELMNA
SCHEMBL19774073 0.83 FFAR1 (0.45) ALDH1A1KDM4EGLAHSP90AB1HSD17B10
SCHEMBL3545527 0.82 EGFR (0.75) EGFRALDH1A1GAAKDM4EGLA
SCHEMBL30605142 0.82 EGFR (0.75) EGFRALDH1A1GAAKDM4EGLA
SCHEMBL24875255 0.81 P2RX7 (0.45) GAAKDM4EANO1L3MBTL1
SCHEMBL474018 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDLMNA

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-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
EP-1887000-A1 ARYLACETATE DERIVATIVE HAVING ISOXAZOLE SKELETON Shionogi Co., Ltd. (JP) 2008-02-13 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-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton CYP2A7, CYP4X1, HAX1 EGFR 1110/4885ALDH1A1 877/4885GAA 2743/4885

“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.