SCHEMBL296592

SCHEMBL296592

COc1ccc(CC[O])cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.66
KDM4E B2RXH2 1/20 0.66
CA2 P00918 3/20 0.63
POLB P06746 1/20 0.61
CYP19A1 P11511 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA9 Q16790 2/20 0.60
CA5A P35218 1/20 0.60
CA14 Q9ULX7 1/20 0.60
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
AOC3 Q16853 1/20 0.58
HSP90AA1 P07900 1/20 0.57
STAT3 P40763 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.54

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
SCHEMBL7182941 0.88 ATM (0.61) ATMKDM4ECA2POLBCYP19A1
SCHEMBL8867447 0.87 CALM1 (0.67) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31157848 0.87 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL16641094 0.87 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL7179485 0.86 ATM (0.59) ATMKDM4ECA2POLBCYP19A1
SCHEMBL8866705 0.86 ATM (0.50) ATMKDM4ECA2POLBCYP19A1
SCHEMBL7184659 0.85 ATM (0.58) ATMKDM4ECA2POLBCYP19A1
SCHEMBL7187163 0.85 ATM (0.58) ATMKDM4ECA2POLBCYP19A1
SCHEMBL10335393 0.85 CYP19A1 (0.81) ATMKDM4ECA2POLBCYP19A1
SCHEMBL5447780 0.83 CYP19A1 (0.67) ATMKDM4ECA2POLBCYP19A1

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP disclosed
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-7166627-B2 Antibiotic compositions and methods of using the same UNIVERSITY OF CINCINNATI (US) 2007-01-23 US disclosed
EP-1709965-A2 Methods of treating cytokine mediate diseases Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-11 EP disclosed
US-7081463-B2 Hydroxy alkyl substituted 1,3,8-Triazaspiro[4.5]decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-6916814-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20040254381-A1 Antibiotic compositions and methods of using the same CINCINNATI, UNIVERSITY OF 2004-12-16 US disclosed
EP-1023044-B1 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-04 EP disclosed
EP-0491374-A1 Bisphosphonic acid derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-24 EP disclosed
EP-0464509-A1 Biphosphonic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 EP disclosed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 US disclosed
EP-0449196-A2 Indole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed
EP-0376197-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP 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-20040254381-A1 Antibiotic compositions and methods of using the same MGAM, PEPD, CLPP ATM 1401/4885KDM4E 758/4885CA2 3616/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT ATM 1788/4885KDM4E 856/4885CA2 1477/4885

“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.