SCHEMBL17930352

SCHEMBL17930352

COc1ccc(C(=O)/C=C/c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 3/20 0.54
▸ MAPT P10636 7/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ POLB P06746 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ THRB P10828 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ STAT1 P42224 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL16539243 0.92 MAPT (0.56) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16539248 0.92 MAPT (0.56) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16539300 0.91 TNFRSF1A (0.52) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16539293 0.91 TNFRSF1A (0.52) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16539252 0.90 TNFRSF1A (0.56) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16539259 0.90 TNFRSF1A (0.56) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16547607 0.89 NPC1 (0.47) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL17924255 0.89 NPC1 (0.47) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16539443 0.87 MAPT (0.55) TNFRSF1AMAPTRAB9ANPC1POLB
SCHEMBL16539440 0.87 MAPT (0.55) TNFRSF1AMAPTRAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604933-B2 Pyrazolochalcones as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-28 — — US disclosed
US-20160207888-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-21 — — 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-20160207888-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS HCCS, CCNE2, FOXO3 TNFRSF1A 2780/4885MAPT 4760/4885RAB9A 3238/4885

“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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