Sugi Predict

Sugi Predict / Compounds / SCHEMBL3219103

SCHEMBL3219103

SCHEMBL3219103

COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 2/20 1.00
▸ ABCG2 Q9UNQ0 5/20 0.88
▸ MEN1 O00255 1/20 0.88
▸ KMT2A Q03164 1/20 0.88
▸ CXCL12 P48061 1/20 0.80
▸ KDM4E B2RXH2 1/20 0.78
▸ LMNA P02545 1/20 0.78
▸ MAPT P10636 1/20 0.78
▸ CA1 P00915 1/20 0.77
▸ CA2 P00918 1/20 0.77
▸ KRAS P01116 1/20 0.74
▸ F3 P13726 1/20 0.74
▸ PDE4A P27815 2/20 0.72
▸ PDE4B Q07343 2/20 0.72
▸ PDE4C Q08493 2/20 0.72
▸ PDE4D Q08499 2/20 0.72
▸ CYP1A1 P04798 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP1B1 Q16678 1/20 0.72

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
SCHEMBL3219109 1.00 TNFRSF1A (1.00) TNFRSF1AABCG2MEN1KMT2ACXCL12
SCHEMBL5471618 0.91 ABCG2 (1.00) TNFRSF1AABCG2MEN1KMT2ACXCL12
SCHEMBL5471625 0.91 ABCG2 (1.00) TNFRSF1AABCG2MEN1KMT2ACXCL12
SCHEMBL31436359 0.91 ABCG2 (1.00) TNFRSF1AABCG2MEN1KMT2ACXCL12
SCHEMBL2458577 0.89 ABCG2 (1.00) TNFRSF1AABCG2MEN1KMT2AKDM4E
SCHEMBL2458579 0.89 ABCG2 (1.00) TNFRSF1AABCG2MEN1KMT2AKDM4E
SCHEMBL25195682 0.89 CXCL12 (0.80) TNFRSF1AABCG2MEN1KMT2ACXCL12
SCHEMBL3263018 0.89 TNFRSF1A (0.80) TNFRSF1AABCG2MEN1KMT2ACXCL12
SCHEMBL31233026 0.89 CXCL12 (0.80) TNFRSF1AABCG2MEN1KMT2ACXCL12
SCHEMBL3263021 0.89 TNFRSF1A (0.80) TNFRSF1AABCG2MEN1KMT2ACXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651121-B Synthetic method of Robtein 陕西理工大学 2021-11-26 — — CN disclosed
CN-109651121-B Synthetic method of Robtein 陕西理工大学 2021-11-26 — — CN disclosed
US-20100041746-A1 NOVEL USE OF ORGANIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-02-18 — — US disclosed
US-20100041746-A1 NOVEL USE OF ORGANIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-02-18 — — US disclosed
US-20100041746-A1 NOVEL USE OF ORGANIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-02-18 — — US disclosed
US-20090239944-A1 Novel Use of Organic Compounds DSM IP ASSETS B.V. (NL) 2009-09-24 — — US 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-20090239944-A1 Novel Use of Organic Compounds GPR119, IRS1, FFAR1 TNFRSF1A 2020/4885ABCG2 3929/4885MEN1 1872/4885
US-20100041746-A1 NOVEL USE OF ORGANIC COMPOUNDS FABP2, FABP4, CPT1B TNFRSF1A 500/4885ABCG2 2360/4885MEN1 2858/4885

“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.