SCHEMBL16538768

SCHEMBL16538768

COc1cc(-c2cc(C=CC(=O)c3ccc4c(c3)OCO4)[nH]n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TNFRSF1A P19438 4/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ STAT1 P42224 1/20 0.48
▸ NQO1 P15559 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MDM2 Q00987 1/20 0.47

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
SCHEMBL16538756 1.00 RAB9A (0.54) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL16538963 0.90 TNFRSF1A (0.55) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL16538966 0.90 TNFRSF1A (0.55) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL16539259 0.90 TNFRSF1A (0.56) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL16539252 0.90 TNFRSF1A (0.56) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL16547632 0.88 RAB9A (0.56) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL17924203 0.88 RAB9A (0.56) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL17930390 0.87 RAB9A (0.49) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL16539248 0.86 MAPT (0.56) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL16539243 0.86 MAPT (0.56) RAB9AMAPTNPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039013-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS Council of Scientific and Industrial Research (IN) 2016-07-06 — — EP claimed
WO-2015029051-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-03-05 — — WO claimed
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-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

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 RAB9A 3238/4885MAPT 4760/4885NPC1 2589/4885

“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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