SCHEMBL3511078

SCHEMBL3511078

[CH2]Sc1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL8425774 0.85 PDE4A (0.50) ALDH1A1MAPTTSHRMAPK1PDE4A
SCHEMBL7859196 0.81 CA2 (0.52) CA2CA12CA1CA7CA9
SCHEMBL5114151 0.81 CA2 (0.52) CA2CA12CA1CA7CA9
SCHEMBL30832957 0.81 CA2 (0.52) CA2CA12CA1CA7CA9
SCHEMBL3511079 0.79 CYP1A1 (0.50) CA2CA12CA1CA7CA9
SCHEMBL19423123 0.77 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL7859198 0.77 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL5044907 0.77 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL6335640 0.77 CA2 (0.48) CA2CA12CA1CA7CA9
SCHEMBL10945772 0.77 ALDH1A1 (0.47) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 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-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD CA2 4417/4885CA12 4265/4885CA1 4273/4885

“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.