SCHEMBL6714554

SCHEMBL6714554

COc1cc(O)c(C=CC(=O)c2ccccc2)c(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 1/20 0.59
▸ NPC1 O15118 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ BCHE P06276 1/20 0.56
▸ ABCB1 P08183 2/20 0.56
▸ ABCG2 Q9UNQ0 5/20 0.55
▸ KRAS P01116 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55
▸ TUBA1B P68363 1/20 0.55
▸ TUBA4A P68366 1/20 0.55
▸ TUBB4B P68371 1/20 0.55
▸ TUBB3 Q13509 1/20 0.55

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
SCHEMBL27860092 1.00 TNFRSF1A (0.59) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL7187236 0.89 TNFRSF1A (0.62) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL7187233 0.89 TNFRSF1A (0.62) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL27816898 0.88 KRAS (0.67) TNFRSF1AMAPTLMNAABCG2KRAS
SCHEMBL8066940 0.87 PTPN1 (0.55) NPC1MAPTRAB9ALMNAABCG2
SCHEMBL7194858 0.84 TNFRSF1A (0.59) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL7193630 0.84 TNFRSF1A (0.59) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL27574595 0.84 CYP3A4 (0.49) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL7190221 0.84 CYP3A4 (0.49) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL31402521 0.83 KDM4E (0.61) ABCG2CYP2C9TUBB4ATUBBTUBA3C

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
CN-102267888-A Chalcone derivative as well as preparation method and application thereof used as inducer in inducing apoptosis of tumor cells — 2011-12-07 — — CN claimed
CN-112047916-A Method for synthesizing isolicoflavonol 苏州昊帆生物股份有限公司 2020-12-08 — — CN disclosed
CN-102267888-A Chalcone derivative as well as preparation method and application thereof used as inducer in inducing apoptosis of tumor cells — 2011-12-07 — — CN disclosed
CN-102267888-A Chalcone derivative as well as preparation method and application thereof used as inducer in inducing apoptosis of tumor cells — 2011-12-07 — — CN disclosed
US-20040242907-A1 Methods of synthesizing flavonoids and chalcones UNITECH PHARMACEUTICALS, INC. 2004-12-02 — — 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 (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-20040242907-A1 Methods of synthesizing flavonoids and chalcones CYP46A1, CYP7B1, CYP2F1 TNFRSF1A 2847/4885NPC1 1095/4885MAPT 3328/4885

“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.

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