SCHEMBL20564610

SCHEMBL20564610

C=C(C)COc1cc[c]cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 6/20 0.34
NPSR1 Q6W5P4 9/20 0.34
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 6/20 0.34
LMNA P02545 6/20 0.34
TSHR P16473 4/20 0.34
MAPT P10636 11/20 0.33
KMT2A Q03164 10/20 0.33
MEN1 O00255 7/20 0.33
MAPK1 P28482 7/20 0.33
TP53 P04637 6/20 0.33
USP2 O75604 3/20 0.33
ALOX12 P18054 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3209384 0.80 POLB (0.62) SMN1; SMN2POLBHSD17B10KDM4ELMNA
SCHEMBL9024048 0.79 LMNA (0.45) SMN1; SMN2POLBHSD17B10NPSR1ALDH1A1
SCHEMBL3202848 0.79 MTNR1A (0.48) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL6195388 0.77 KMT2A (0.38) SMN1; SMN2POLBHSD17B10NPSR1ALDH1A1
SCHEMBL18297785 0.77 ALDH1A1 (0.56) SMN1; SMN2POLBALDH1A1KDM4ELMNA
SCHEMBL5785927 0.77 SMN1; SMN2 (0.61) SMN1; SMN2POLBHSD17B10NPSR1KDM4E
SCHEMBL182827 0.77 MAPT (0.46) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2458803 0.76 TUBB1 (0.41) SMN1; SMN2POLBHSD17B10ALDH1A1LMNA
SCHEMBL8674 0.75 CA2 (0.46) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL9024831 0.75 ALDH1A1 (0.54) SMN1; SMN2POLBHSD17B10NPSR1ALDH1A1

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
US-20200199087-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME ROWAN UNIVERSITY 2020-06-25 US claimed
EP-3625200-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME Rowan University (US) 2020-03-25 EP claimed
WO-2018213236-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME ROWAN UNIVERSITY (US) 2018-11-22 WO claimed
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 PDE4A 3930/4885PDE4B 3577/4885PDE4C 3634/4885
US-20200199087-A1 BIO-BASED, MULTI-AROMATIC COMPOUNDS, AND METHODS OF MAKING AND USING SAME ALKBH3, ALKBH1, EWSR1 PDE4A 3930/4885PDE4B 3577/4885PDE4C 3634/4885

“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.