SCHEMBL20564940

SCHEMBL20564940

COc1cc(C(c2cc(OC)c(O)c(OC)c2)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
PTGS2 P35354 3/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL1596479 0.93 TSHR (0.46) PKMCA12CA1CA2CA3
SCHEMBL14035533 0.89 CA1 (0.42) PKMCA12CA1CA2CA3
SCHEMBL31517020 0.88 KDM4E (0.50) PKMGAAMAPTKMT2ACYP1A2
SCHEMBL1596157 0.85 PKM (0.50) PKMCA12CA1CA2CA3
SCHEMBL10130846 0.83 PDE4A (0.43) PKMCA12CA1CA2CA3
SCHEMBL6243516 0.83 PKM (0.48) PKMCA12CA1CA2CA3
SCHEMBL21729392 0.83 CA12 (0.48) PKMCA12CA1CA2CA3
SCHEMBL16372693 0.83 TUBB4A (0.55) PKMCA12CA1CA2CA3
SCHEMBL1597087 0.82 EGFR (0.41) PKMGAAMAPTPTGS2ALOX5
SCHEMBL6717421 0.81 PKM (0.47) PKMCA12CA1CA2CA3

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
US-11008297-B2 Bio-based, multi-aromatic compounds, and methods of making and using same ROWAN UNIVERSITY (US) 2021-05-18 US disclosed
US-20200199087-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME ROWAN UNIVERSITY 2020-06-25 US disclosed
EP-3625200-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME Rowan University (US) 2020-03-25 EP disclosed
WO-2018213236-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME ROWAN UNIVERSITY (US) 2018-11-22 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 (2 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-11008297-B2 Bio-based, multi-aromatic compounds, and methods of making and using same ALKBH3, ALKBH1, EWSR1 PKM 348/4885CA12 3263/4885CA1 3552/4885
US-20200199087-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME ALKBH3, ALKBH1, EWSR1 PKM 348/4885CA12 3263/4885CA1 3552/4885

“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.