SCHEMBL15575244

SCHEMBL15575244

COc1cc(O)c2c(c1)OC(C)(c1ccccc1)CC2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.60
ABCG2 Q9UNQ0 2/20 0.59
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
CYP19A1 P11511 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TAS2R31 P59538 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL6565166 0.85 RIPK1 (0.78) RIPK1ABCG2MEN1KMT2ARAB9A
SCHEMBL27442244 0.84 RIPK1 (0.59) RIPK1ABCG2MEN1KMT2ARAB9A
SCHEMBL30593801 0.78 ALDH1A1 (0.65) RIPK1MEN1KMT2ARAB9ANPC1
SCHEMBL20094733 0.75 RIPK1 (1.00) RIPK1ABCG2MEN1KMT2ARAB9A
Pinostrobin SCHEMBL30238575 0.74 ABCG2 (1.00) ABCG2MEN1KMT2ARAB9ANPC1
Pinostrobin SCHEMBL1485747 0.74 ABCG2 (1.00) ABCG2MEN1KMT2ARAB9ANPC1
Pinostrobin SCHEMBL7648566 0.74 ABCG2 (1.00) ABCG2MEN1KMT2ARAB9ANPC1
Pinostrobin SCHEMBL31264673 0.74 ABCG2 (1.00) ABCG2MEN1KMT2ARAB9ANPC1
SCHEMBL27766387 0.73 LDHA (0.39) RIPK1ABCG2MEN1KMT2ARAB9A
SCHEMBL9444373 0.73 MEN1 (0.49) RIPK1ABCG2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888012-B1 ORAL CARE UNIV PRETORIA (ZA) 2020-06-17 EP disclosed
EP-2888012-A2 ORAL CARE University of Pretoria (ZA) 2015-07-01 EP disclosed
US-20150174059-A1 ORAL CARE UNIVERSITY OF PRETORIA (ZA) 2015-06-25 US disclosed
WO-2014033625-A2 ORAL CARE UNIVERSITY OF PRETORIA (ZA) 2014-03-06 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-20150174059-A1 ORAL CARE NOP2, POLR1C, DPM1 RIPK1 4306/4885ABCG2 4716/4885MEN1 4410/4885

“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.