SCHEMBL16539293

SCHEMBL16539293

COc1ccc(C(=O)/C=C/c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 3/20 0.52
▸ MAPT P10636 6/20 0.51
▸ POLB P06746 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ THRB P10828 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ STAT1 P42224 1/20 0.47
▸ ALOX5 P09917 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ STAT3 P40763 1/20 0.44

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
SCHEMBL16539300 1.00 TNFRSF1A (0.52) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16539243 0.92 MAPT (0.56) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16539248 0.92 MAPT (0.56) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL17930352 0.91 TNFRSF1A (0.54) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16539252 0.90 TNFRSF1A (0.56) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16539259 0.90 TNFRSF1A (0.56) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16539443 0.87 MAPT (0.55) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16539440 0.87 MAPT (0.55) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16538963 0.87 TNFRSF1A (0.55) TNFRSF1AMAPTPOLBLMNAMEN1
SCHEMBL16538966 0.87 TNFRSF1A (0.55) TNFRSF1AMAPTPOLBLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039013-B1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2018-09-12 — — EP disclosed
US-9604933-B2 Pyrazolochalcones as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-28 — — US disclosed
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
US-20160207888-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-21 — — US disclosed
EP-3039013-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS Council of Scientific and Industrial Research (IN) 2016-07-06 — — EP disclosed
WO-2015029051-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-03-05 — — WO disclosed
WO-2015029051-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-03-05 — — WO 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 4760/4885POLB 3217/4885

“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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